6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine

C20H15N7 — CID 19144853

IUPAC6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc3cccnc23)ncnc1-n1cnc2ccccc21
InChIInChI=1S/C20H15N7/c21-17-19(26-15-8-3-5-13-6-4-10-22-18(13)15)23-11-24-20(17)27-12-25-14-7-1-2-9-16(14)27/h1-12H,21H2,(H,23,24,26)
InChIKeyKKOLDKYNXBRFHN-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.69
Rot. Bonds3

About 6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine

6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine (PubChem CID 19144853) has the molecular formula C20H15N7 and a molecular weight of 353.39 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine
PubChem CID19144853
Molecular FormulaC20H15N7
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc3cccnc23)ncnc1-n1cnc2ccccc21
InChIInChI=1S/C20H15N7/c21-17-19(26-15-8-3-5-13-6-4-10-22-18(13)15)23-11-24-20(17)27-12-25-14-7-1-2-9-16(14)27/h1-12H,21H2,(H,23,24,26)
InChIKeyKKOLDKYNXBRFHN-UHFFFAOYSA-N
XLogP3.69
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19137290
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19149882
methyl 2-[[5-amino-6-(benzimidazol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19146316
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144818
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
4-N-(3-methyl-2-pyridinyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144579
6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine
CID 19136313
4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 22547024
6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149292
6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144751
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine (CID 19144853) is 6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine is Nc1c(Nc2cccc3cccnc23)ncnc1-n1cnc2ccccc21.
What is the InChIKey of 6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine?
The InChIKey is KKOLDKYNXBRFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7/c21-17-19(26-15-8-3-5-13-6-4-10-22-18(13)15)23-11-24-20(17)27-12-25-14-7-1-2-9-16(14)27/h1-12H,21H2,(H,23,24,26).
What are the key properties of 6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine?
6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine has a molecular weight of 353.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19144853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).