N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine

C15H17N5 — CID 133480328

IUPACN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
SMILESCc1ccc2c(c1)nc(CNc1nccc(C)n1)n2C
InChIInChI=1S/C15H17N5/c1-10-4-5-13-12(8-10)19-14(20(13)3)9-17-15-16-7-6-11(2)18-15/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyKHEIPXHVGDYRBM-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.59
Rot. Bonds3

About N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine

N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine (PubChem CID 133480328) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
PubChem CID133480328
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
SMILESCc1ccc2c(c1)nc(CNc1nccc(C)n1)n2C
InChIInChI=1S/C15H17N5/c1-10-4-5-13-12(8-10)19-14(20(13)3)9-17-15-16-7-6-11(2)18-15/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyKHEIPXHVGDYRBM-UHFFFAOYSA-N
XLogP2.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 133480310
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline
CID 60835526
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
CID 82333350
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133480272
4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
CID 75484596
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-nitroquinolin-8-amine
CID 133480324
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea
CID 119052040
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441
1-[4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]-3-nitrophenyl]ethanone
CID 133480344
N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772670

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine (CID 133480328) is N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine is Cc1ccc2c(c1)nc(CNc1nccc(C)n1)n2C.
What is the InChIKey of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine?
The InChIKey is KHEIPXHVGDYRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-4-5-13-12(8-10)19-14(20(13)3)9-17-15-16-7-6-11(2)18-15/h4-8H,9H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine?
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 133480328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).