AG000PNK

1197953-49-3 | 2,5-Dichloro-n-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine

AG000PNK

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CAS Number	1197953-49-3
Catalog Number	AG000PNK(AGN-PC-0WCY0K)
Chemical Name	2,5-Dichloro-n-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine
IUPAC Name	2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine
InChI	InChI=1S/C12H12Cl2N3OP/c1-19(2,18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,1-2H3,(H,15,16,17)
InChI Key	XIKUAKVCJMVXCI-UHFFFAOYSA-N
MDL Number	MFCD29477700
Molecular Formula	C12H12Cl2N3OP
Molecular Weight	316.1229
SMILES	CP(C)(C1=CC=CC=C1NC2=NC(Cl)=NC=C2Cl)=O
Synonyms	1197953-49-3, (2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide, 2,5-dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine, 2,5-dichloro-N-[2-(dimethylphosphoryl)phenyl]pyrimidin-4-amine, SCHEMBL11916362, KS-00000TCF, BCP13209, MFCD29477700, AKOS026674001, ZINC148723392, AK198792, QC-11820, (2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphineoxide, 2,5-Dichloro-N-(2-(dimethylphosphoryl)phenyl) pyrimidin-4-amine, 4-Pyrimidinamine, 2,5-dichloro-N-[2-(dimethylphosphinyl)phenyl]-, XIKUAKVCJMVXCI-UHFFFAOYSA-N, ACN-054103, dimethyl 2-(2,5-dichloropyrimidin-4-ylamino)phenylphosphonate,

Complexity	352
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	315.01g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	316.122g/mol
Monoisotopic Mass	315.01g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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