1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

C12H13ClN4 — CID 106760540

IUPAC1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1Nc1ccnc(Cl)n1
InChIInChI=1S/C12H13ClN4/c1-17(2)10-6-4-3-5-9(10)15-11-7-8-14-12(13)16-11/h3-8H,1-2H3,(H,14,15,16)
InChIKeyANBNDKLCVVVTFH-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.94
Rot. Bonds3

About 1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 106760540) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID106760540
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1Nc1ccnc(Cl)n1
InChIInChI=1S/C12H13ClN4/c1-17(2)10-6-4-3-5-9(10)15-11-7-8-14-12(13)16-11/h3-8H,1-2H3,(H,14,15,16)
InChIKeyANBNDKLCVVVTFH-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-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-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

2-chloro-N-naphthalen-1-ylpyrimidin-4-amine
CID 55065329
2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
CID 157222009
2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine
CID 131801139
2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
CID 62336208
2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine
CID 106759477
N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine
CID 81280685
2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 46859551
3-chloro-1-N-[2-(dimethylamino)phenyl]benzene-1,2-diamine
CID 106759458
2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 60727037
1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759555
2-[[2-(2-carboxy-N-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 21204484
1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761138

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 106760540) is 1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1Nc1ccnc(Cl)n1.
What is the InChIKey of 1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is ANBNDKLCVVVTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-17(2)10-6-4-3-5-9(10)15-11-7-8-14-12(13)16-11/h3-8H,1-2H3,(H,14,15,16).
What are the key properties of 1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-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-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 106760540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).