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

C14H15N5 — CID 116897787

IUPAC2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1nccc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C14H15N5/c1-15-6-5-14-16-7-4-11(19-14)10-2-3-12-13(8-10)18-9-17-12/h2-4,7-9,15H,5-6H2,1H3,(H,17,18)
InChIKeyMCDWYBJWQDZLDA-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.78
Rot. Bonds4

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

2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine (PubChem CID 116897787) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
PubChem CID116897787
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1nccc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C14H15N5/c1-15-6-5-14-16-7-4-11(19-14)10-2-3-12-13(8-10)18-9-17-12/h2-4,7-9,15H,5-6H2,1H3,(H,17,18)
InChIKeyMCDWYBJWQDZLDA-UHFFFAOYSA-N
XLogP1.78
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-chloroethyl)pyrimidin-4-yl]-1H-benzimidazole
CID 116899357
N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine
CID 116897788
6-(2-chloropyrimidin-4-yl)-1H-benzimidazole
CID 116904383
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
3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine
CID 116898218
N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine
CID 116897507
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol
CID 116903079
4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 170970828
6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole
CID 116897384
4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 170970601

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine (CID 116897787) is 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine is CNCCc1nccc(-c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine?
The InChIKey is MCDWYBJWQDZLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-15-6-5-14-16-7-4-11(19-14)10-2-3-12-13(8-10)18-9-17-12/h2-4,7-9,15H,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine?
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 116897787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).