2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine

C16H17N5 — CID 63639303

IUPAC2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C16H17N5/c1-17-14-8-13(10-6-7-10)20-16(21-14)9-15-18-11-4-2-3-5-12(11)19-15/h2-5,8,10H,6-7,9H2,1H3,(H,18,19)(H,17,20,21)
InChIKeyFBFSYGHZRIVWFN-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.86
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine

2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 63639303) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID63639303
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C16H17N5/c1-17-14-8-13(10-6-7-10)20-16(21-14)9-15-18-11-4-2-3-5-12(11)19-15/h2-5,8,10H,6-7,9H2,1H3,(H,18,19)(H,17,20,21)
InChIKeyFBFSYGHZRIVWFN-UHFFFAOYSA-N
XLogP2.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-benzimidazol-2-ylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 63639636
2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
[2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 63639806
6-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
CID 63354210
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192982
2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 63638962
3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268608
2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole
CID 63637402
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 63637202

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine (CID 63639303) is 2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine is CNc1cc(C2CC2)nc(Cc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is FBFSYGHZRIVWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-17-14-8-13(10-6-7-10)20-16(21-14)9-15-18-11-4-2-3-5-12(11)19-15/h2-5,8,10H,6-7,9H2,1H3,(H,18,19)(H,17,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63639303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).