4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

C18H15ClN6 — CID 164610376

IUPAC4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2ncc(Cl)c(Nc3ccc4nc[nH]c4c3)n2)c1
InChIInChI=1S/C18H15ClN6/c1-11-3-2-4-12(7-11)24-18-20-9-14(19)17(25-18)23-13-5-6-15-16(8-13)22-10-21-15/h2-10H,1H3,(H,21,22)(H2,20,23,24,25)
InChIKeyMOAHBUQKSMSISR-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.80
Rot. Bonds4

About 4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 164610376) has the molecular formula C18H15ClN6 and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID164610376
Molecular FormulaC18H15ClN6
Molecular Weight350.81 g/mol
Exact Mass350.10
IUPAC Name4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2ncc(Cl)c(Nc3ccc4nc[nH]c4c3)n2)c1
InChIInChI=1S/C18H15ClN6/c1-11-3-2-4-12(7-11)24-18-20-9-14(19)17(25-18)23-13-5-6-15-16(8-13)22-10-21-15/h2-10H,1H3,(H,21,22)(H2,20,23,24,25)
InChIKeyMOAHBUQKSMSISR-UHFFFAOYSA-N
XLogP4.80
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-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

5-chloro-2-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80755325
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine
CID 10269034
N-[4-[[5-chloro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-N'-hydroxyoctanediamide
CID 164610605
5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768832
1-[4-[[4-(3H-benzimidazol-5-ylamino)-5-bromopyrimidin-2-yl]amino]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)urea
CID 91466406
5-chloro-4-N-(3-methylphenyl)-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 155665859
4-[[4-(3H-benzimidazol-5-ylamino)-5-bromopyrimidin-2-yl]amino]-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide
CID 91381662
4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
CID 91476448
5-[[5-chloro-2-(3,5-dimethylanilino)pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one;2,2,2-trifluoroacetic acid
CID 56655409
5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one
CID 136970384
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075

Frequently Asked Questions

What is the IUPAC name of 4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 164610376) is 4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is Cc1cccc(Nc2ncc(Cl)c(Nc3ccc4nc[nH]c4c3)n2)c1.
What is the InChIKey of 4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is MOAHBUQKSMSISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6/c1-11-3-2-4-12(7-11)24-18-20-9-14(19)17(25-18)23-13-5-6-15-16(8-13)22-10-21-15/h2-10H,1H3,(H,21,22)(H2,20,23,24,25).
What are the key properties of 4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 350.81 g/mol, XLogP of 4.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 164610376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).