N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine

C14H15N5 — CID 116897507

IUPACN-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine
SMILESCNCc1nccc(-c2ccc3nc(C)[nH]c3c2)n1
InChIInChI=1S/C14H15N5/c1-9-17-12-4-3-10(7-13(12)18-9)11-5-6-16-14(19-11)8-15-2/h3-7,15H,8H2,1-2H3,(H,17,18)
InChIKeyANEJSPHIXAPVGM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.05
Rot. Bonds3

About N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine

N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine (PubChem CID 116897507) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine
PubChem CID116897507
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine
SMILESCNCc1nccc(-c2ccc3nc(C)[nH]c3c2)n1
InChIInChI=1S/C14H15N5/c1-9-17-12-4-3-10(7-13(12)18-9)11-5-6-16-14(19-11)8-15-2/h3-7,15H,8H2,1-2H3,(H,17,18)
InChIKeyANEJSPHIXAPVGM-UHFFFAOYSA-N
XLogP2.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine
CID 116897788
N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine
CID 116897504
methyl 4-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-2-carboxylate
CID 116901274
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897787
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 116856632
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 116897472
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine
CID 116897459
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 861438
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 158790051
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole
CID 116897385
[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]hydrazine
CID 116884165

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine (CID 116897507) is N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine is CNCc1nccc(-c2ccc3nc(C)[nH]c3c2)n1.
What is the InChIKey of N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine?
The InChIKey is ANEJSPHIXAPVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-17-12-4-3-10(7-13(12)18-9)11-5-6-16-14(19-11)8-15-2/h3-7,15H,8H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine?
N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 116897507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).