1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine

C12H13ClN4 — CID 79033222

IUPAC1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2cc(Cl)ncn2)c1
InChIInChI=1S/C12H13ClN4/c1-17(2)10-5-3-4-9(6-10)16-12-7-11(13)14-8-15-12/h3-8H,1-2H3,(H,14,15,16)
InChIKeyRWBVDPSUOFGYRY-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.94
Rot. Bonds3

About 1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 79033222) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID79033222
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2cc(Cl)ncn2)c1
InChIInChI=1S/C12H13ClN4/c1-17(2)10-5-3-4-9(6-10)16-12-7-11(13)14-8-15-12/h3-8H,1-2H3,(H,14,15,16)
InChIKeyRWBVDPSUOFGYRY-UHFFFAOYSA-N
XLogP2.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide
CID 22594113
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115379125
6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 63548572
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine
CID 113297464
3-[[6-[4-(dimethylamino)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866899

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine (CID 79033222) is 1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine is CN(C)c1cccc(Nc2cc(Cl)ncn2)c1.
What is the InChIKey of 1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is RWBVDPSUOFGYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-17(2)10-5-3-4-9(6-10)16-12-7-11(13)14-8-15-12/h3-8H,1-2H3,(H,14,15,16).
What are the key properties of 1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 248.72 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 79033222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).