6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine

C14H15N5 — CID 80853526

IUPAC6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-n2cnc3ccccc32)ncn1
InChIInChI=1S/C14H15N5/c1-2-7-15-13-8-14(17-9-16-13)19-10-18-11-5-3-4-6-12(11)19/h3-6,8-10H,2,7H2,1H3,(H,15,16,17)
InChIKeyVBLSSPIANDYTCA-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.64
Rot. Bonds4

About 6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine

6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine (PubChem CID 80853526) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine
PubChem CID80853526
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-n2cnc3ccccc32)ncn1
InChIInChI=1S/C14H15N5/c1-2-7-15-13-8-14(17-9-16-13)19-10-18-11-5-3-4-6-12(11)19/h3-6,8-10H,2,7H2,1H3,(H,15,16,17)
InChIKeyVBLSSPIANDYTCA-UHFFFAOYSA-N
XLogP2.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
6-(benzimidazol-1-yl)-N-[5-[(2S)-2,4-dimethylpiperazin-1-yl]-2-pyridinyl]pyrimidin-4-amine
CID 134146959
8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80845359
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
6-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 129086038
4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80855501
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine
CID 80853780
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
CID 155587897
1-(2-ethylphenyl)benzimidazole
CID 22078308

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine (CID 80853526) is 6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(-n2cnc3ccccc32)ncn1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine?
The InChIKey is VBLSSPIANDYTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-7-15-13-8-14(17-9-16-13)19-10-18-11-5-3-4-6-12(11)19/h3-6,8-10H,2,7H2,1H3,(H,15,16,17).
What are the key properties of 6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine?
6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80853526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).