| CAS Number | 99846-86-3 |
| Catalog Number | AG00IKCB(AGN-PC-0W9XN3) |
| Chemical Name | N-(6-Chloro-4-pyrimidinyl)-N-(2-furylmethyl)amine |
| IUPAC Name | 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine |
| InChI | InChI=1S/C9H8ClN3O/c10-8-4-9(13-6-12-8)11-5-7-2-1-3-14-7/h1-4,6H,5H2,(H,11,12,13) |
| InChI Key | STRGJGAQEVTISA-UHFFFAOYSA-N |
| MDL Number | MFCD11655644 |
| Molecular Formula | C9H8ClN3O |
| Molecular Weight | 209.6323 |
| NSC Number | 202478 |
| SMILES | ClC1=NC=NC(NCC2OC=CC=2)=C1 |
| Synonyms | 99846-86-3,
6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine,
N-(6-CHLORO-4-PYRIMIDINYL)-N-(2-FURYLMETHYL)AMINE,
6-Chloro-4-(furfurylamino)pyrimidine,
MFCD11655644,
NSC202478,
AC1L76Y8,
SCHEMBL11105130,
CTK6H4270,
ZINC1736381,
4727AF,
AKOS010530604,
MCULE-9883405942,
NSC-202478,
AJ-31343,
BB 0257210,
6-Chloro-N-(2-furylmethyl)-4-pyrimidinamine,
F9995-1088,
N-(6-chloro-4-pyrimidinyl)-N-(2-furylmethyl)amine (IM OCS),
C9H8ClN3O,
CID305494,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.633g/mol |
| Monoisotopic Mass | 209.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number