6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine

C17H16N8 — CID 131801273

IUPAC6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine
SMILESc1nc(Nc2ccc3nc[nH]c3c2)cc(Nc2ncc(C3CC3)[nH]2)n1
InChIInChI=1S/C17H16N8/c1-2-10(1)14-7-18-17(24-14)25-16-6-15(21-9-22-16)23-11-3-4-12-13(5-11)20-8-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)
InChIKeyUEQGKXCUDREPOA-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.44
Rot. Bonds5

About 6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine

6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine (PubChem CID 131801273) has the molecular formula C17H16N8 and a molecular weight of 332.37 g/mol. Its IUPAC name is 6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine
PubChem CID131801273
Molecular FormulaC17H16N8
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine
SMILESc1nc(Nc2ccc3nc[nH]c3c2)cc(Nc2ncc(C3CC3)[nH]2)n1
InChIInChI=1S/C17H16N8/c1-2-10(1)14-7-18-17(24-14)25-16-6-15(21-9-22-16)23-11-3-4-12-13(5-11)20-8-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)
InChIKeyUEQGKXCUDREPOA-UHFFFAOYSA-N
XLogP3.44
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine
CID 115265409
6-(3H-benzimidazol-5-ylamino)-1H-1,3,5-triazine-2,4-dione
CID 146541479
4-N-(3-aminopropyl)-2-N-(3H-benzimidazol-5-yl)-5-cyclopropylpyrimidine-2,4-diamine
CID 68622343
2-N-(3H-benzimidazol-5-yl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 86210860
2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine
CID 10269034
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
1-[4-(3H-benzimidazol-5-ylamino)-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21103841
N-(2-methylpropyl)-3H-benzimidazol-5-amine
CID 67445159
4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 117083767
N-[2-[(3-isocyanophenyl)methyl]pyrimidin-4-yl]-3H-benzimidazol-5-amine
CID 157494015
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea
CID 108915520

Frequently Asked Questions

What is the IUPAC name of 6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine (CID 131801273) is 6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine is c1nc(Nc2ccc3nc[nH]c3c2)cc(Nc2ncc(C3CC3)[nH]2)n1.
What is the InChIKey of 6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine?
The InChIKey is UEQGKXCUDREPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8/c1-2-10(1)14-7-18-17(24-14)25-16-6-15(21-9-22-16)23-11-3-4-12-13(5-11)20-8-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25).
What are the key properties of 6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine?
6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine has a molecular weight of 332.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 131801273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).