4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine

C17H16N8 — CID 117094429

IUPAC4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccncn2)nc1NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16N8/c1-11-8-20-17(24-14-6-7-18-10-21-14)25-16(11)19-9-15-22-12-4-2-3-5-13(12)23-15/h2-8,10H,9H2,1H3,(H,22,23)(H2,18,19,20,21,24,25)
InChIKeyZCDZIIXSPHSAEP-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.81
Rot. Bonds5

About 4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine

4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine (PubChem CID 117094429) has the molecular formula C17H16N8 and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine
PubChem CID117094429
Molecular FormulaC17H16N8
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccncn2)nc1NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16N8/c1-11-8-20-17(24-14-6-7-18-10-21-14)25-16(11)19-9-15-22-12-4-2-3-5-13(12)23-15/h2-8,10H,9H2,1H3,(H,22,23)(H2,18,19,20,21,24,25)
InChIKeyZCDZIIXSPHSAEP-UHFFFAOYSA-N
XLogP2.81
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(1H-benzimidazol-2-ylmethyl)-2-N-isoquinolin-1-yl-5-methylpyrimidine-2,4-diamine
CID 117090195
4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine
CID 117089528
2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 167768772
N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
6-N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-N-pyridin-2-ylpurine-2,6-diamine
CID 117093366
[1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 117088494
2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine
CID 114112685
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117089912
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine
CID 117092742
4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine
CID 117092679
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71922543
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine (CID 117094429) is 4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine is Cc1cnc(Nc2ccncn2)nc1NCc1nc2ccccc2[nH]1.
What is the InChIKey of 4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is ZCDZIIXSPHSAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8/c1-11-8-20-17(24-14-6-7-18-10-21-14)25-16(11)19-9-15-22-12-4-2-3-5-13(12)23-15/h2-8,10H,9H2,1H3,(H,22,23)(H2,18,19,20,21,24,25).
What are the key properties of 4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine?
4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 332.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 117094429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).