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

C15H17N5 — CID 116897788

IUPACN-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine
SMILESCNCCc1nccc(-c2ccc3nc(C)[nH]c3c2)n1
InChIInChI=1S/C15H17N5/c1-10-18-13-4-3-11(9-14(13)19-10)12-5-8-17-15(20-12)6-7-16-2/h3-5,8-9,16H,6-7H2,1-2H3,(H,18,19)
InChIKeyYYPMPFQLCHBVMF-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.09
Rot. Bonds4

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

N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine (PubChem CID 116897788) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine
PubChem CID116897788
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine
SMILESCNCCc1nccc(-c2ccc3nc(C)[nH]c3c2)n1
InChIInChI=1S/C15H17N5/c1-10-18-13-4-3-11(9-14(13)19-10)12-5-8-17-15(20-12)6-7-16-2/h3-5,8-9,16H,6-7H2,1-2H3,(H,18,19)
InChIKeyYYPMPFQLCHBVMF-UHFFFAOYSA-N
XLogP2.09
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine
CID 116897507
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897787
N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine
CID 116897785
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine
CID 116897750
methyl 4-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-2-carboxylate
CID 116901274
N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
CID 96671773
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 116856632
6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole
CID 116897385
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 158790051
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 861438
2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol
CID 116899537

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine (CID 116897788) is N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine is CNCCc1nccc(-c2ccc3nc(C)[nH]c3c2)n1.
What is the InChIKey of N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine?
The InChIKey is YYPMPFQLCHBVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-18-13-4-3-11(9-14(13)19-10)12-5-8-17-15(20-12)6-7-16-2/h3-5,8-9,16H,6-7H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine?
N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine has a molecular weight of 267.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116897788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).