AG00EBQI

588-36-3 | (4-amino-2-(methylthio)pyrimidin-5-yl)methanol

AG00EBQI

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CAS Number	588-36-3
Catalog Number	AG00EBQI(AGN-PC-0JNA9H)
Chemical Name	(4-amino-2-(methylthio)pyrimidin-5-yl)methanol
IUPAC Name	(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol
InChI	InChI=1S/C6H9N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3,(H2,7,8,9)
InChI Key	XLVOWGDFXAVSFE-UHFFFAOYSA-N
MDL Number	MFCD08236793
Molecular Formula	C6H9N3OS
Molecular Weight	171.2202
SMILES	CSC1=NC(N)=C(CO)C=N1
UNII	6213O32QRM
Synonyms	5-((3,5-dimethoxy-4-(methylthio)phenyl)methyl)-2,4-pyrimidinediamine, methioprim, metioprim, Ro 126995, Ro-126995, 588-36-3, 4-Amino-5-hydroxymethyl-2-(methylthio)pyrimidine, Methioprim, (4-AMINO-2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANOL, 4-amino-2-methylthio-5-pyrimidinemethanol, [4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methanol, 5-Pyrimidinemethanol, 4-amino-2-(methylthio)-, UNII-6213O32QRM, NSC-3431, NSC-43811, 6213O32QRM, MAHP, AK-26818, AN-584/43408171, Methioprim [MI], SQ 15297, [4-amino-2-(methylthio)pyrimidin-5-yl]methanol, (4-Amino-2-methanethiopyrimidin-5-yl)methanol, AC1L58XR, 2-Methylthio-4-amino-5-(hydroxymethyl)pyrimidine, 2-Methylmercapto-4-amino-5-hydroxymethylpyrimidine, KSC608S4F, AC1Q7E15, SCHEMBL1168222, CTK5A8942, DTXSID40277658, NSC3431, XLVOWGDFXAVSFE-UHFFFAOYSA-N, NSC43811, ZINC1666765, ANW-56274, FCH858889, MFCD08236793, QC-749, RW2852, SBB069028, AKOS005255379, ACN-025397, CA-2171, DS-2127, PB26340, AJ-29037, CJ-06060, AB0032687, AX8045447, DB-072523, ST1141008, TC-145019, 4-Amino-2-(methylthio)pyrimidine-5-methanol, 4CH-006203, CS-0045797, FT-0084049, FT-0650707, X6079, 5-Pyrimidinemethanol,4-amino-2-(methylthio)-, KS-00000456, A18948, M-7159, (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol, (4-amino-2-methylthiopyrimidin-5-yl)methan-1-ol, (4-amino-2-methylsulfanyl-pyrimidin-5-yl)-methanol, [4-amino-2-(methylsulfanyl)-5-pyrimidinyl]methanol, 4-AMINO-2-(METHYLTHIO)-5-PYRIMIDINEMETHANOL, S03-0006, C6H9N3OS, AR-1G0614, CID220531, 654-01-3, 770-31-0,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.047g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	171.218g/mol
Monoisotopic Mass	171.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	97.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

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