6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine

C17H12Cl2N6 — CID 19149882

IUPAC6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Cl)cc2Cl)ncnc1-n1cnc2ccccc21
InChIInChI=1S/C17H12Cl2N6/c18-10-5-6-12(11(19)7-10)24-16-15(20)17(22-8-21-16)25-9-23-13-3-1-2-4-14(13)25/h1-9H,20H2,(H,21,22,24)
InChIKeyBAGQMPPUSATHNS-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.45
Rot. Bonds3

About 6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine

6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine (PubChem CID 19149882) has the molecular formula C17H12Cl2N6 and a molecular weight of 371.23 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
PubChem CID19149882
Molecular FormulaC17H12Cl2N6
Molecular Weight371.23 g/mol
Exact Mass370.05
IUPAC Name6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Cl)cc2Cl)ncnc1-n1cnc2ccccc21
InChIInChI=1S/C17H12Cl2N6/c18-10-5-6-12(11(19)7-10)24-16-15(20)17(22-8-21-16)25-9-23-13-3-1-2-4-14(13)25/h1-9H,20H2,(H,21,22,24)
InChIKeyBAGQMPPUSATHNS-UHFFFAOYSA-N
XLogP4.45
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144853
methyl 2-[[5-amino-6-(benzimidazol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19146316
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149292
dimethyl 5-[[5-amino-6-(benzimidazol-1-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547762
6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544993
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19139127
6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine
CID 19136313
6-(benzotriazol-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19148004
4-N-(2,4-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138421
6-N-(2,4-dichlorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144482
4-N-(2,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19149844

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine (CID 19149882) is 6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine is Nc1c(Nc2ccc(Cl)cc2Cl)ncnc1-n1cnc2ccccc21.
What is the InChIKey of 6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine?
The InChIKey is BAGQMPPUSATHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N6/c18-10-5-6-12(11(19)7-10)24-16-15(20)17(22-8-21-16)25-9-23-13-3-1-2-4-14(13)25/h1-9H,20H2,(H,21,22,24).
What are the key properties of 6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine?
6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine has a molecular weight of 371.23 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19149882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).