6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine

C14H15N5 — CID 80966582

IUPAC6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(-n2cnc3ccccc32)n1
InChIInChI=1S/C14H15N5/c1-9(2)14-17-12(15)7-13(18-14)19-8-16-10-5-3-4-6-11(10)19/h3-9H,1-2H3,(H2,15,17,18)
InChIKeyZUAMPHNEVNKYHD-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.52
Rot. Bonds2

About 6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine

6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80966582) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80966582
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(-n2cnc3ccccc32)n1
InChIInChI=1S/C14H15N5/c1-9(2)14-17-12(15)7-13(18-14)19-8-16-10-5-3-4-6-11(10)19/h3-9H,1-2H3,(H2,15,17,18)
InChIKeyZUAMPHNEVNKYHD-UHFFFAOYSA-N
XLogP2.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(benzimidazol-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80992722
4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine
CID 114053321
1-(2,6-dichloropyrimidin-4-yl)benzimidazole
CID 10539590
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
1-(2-tert-butyl-6-chloropyrimidin-4-yl)benzimidazole
CID 80951246
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924822
2-(benzimidazol-1-yl)quinoline-4-carbonitrile
CID 63884112
1-(2-bromo-4-propan-2-ylphenyl)benzimidazole
CID 174453392
3-(benzimidazol-1-yl)-4-methylaniline
CID 82512834
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 80854160

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80966582) is 6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(-n2cnc3ccccc32)n1.
What is the InChIKey of 6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZUAMPHNEVNKYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9(2)14-17-12(15)7-13(18-14)19-8-16-10-5-3-4-6-11(10)19/h3-9H,1-2H3,(H2,15,17,18).
What are the key properties of 6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine?
6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80966582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).