6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine

C14H15N5S — CID 80949788

IUPAC6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H15N5S/c1-2-5-12-18-11(15)8-13(19-12)20-14-16-9-6-3-4-7-10(9)17-14/h3-4,6-8H,2,5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyDOJKAURFLWGIOH-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.04
Rot. Bonds4

About 6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine

6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine (PubChem CID 80949788) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine
PubChem CID80949788
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H15N5S/c1-2-5-12-18-11(15)8-13(19-12)20-14-16-9-6-3-4-7-10(9)17-14/h3-4,6-8H,2,5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyDOJKAURFLWGIOH-UHFFFAOYSA-N
XLogP3.04
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine
CID 80647029
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892676
2-(6-propylpyrimidin-4-yl)sulfanyl-3H-benzimidazol-5-amine
CID 61370433
2-propylpyrimidine-4,6-diamine
CID 67304918
6-(1H-benzimidazol-2-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine
CID 80883058
4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80883757
2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole
CID 63731224
[4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80920292
4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine
CID 114991117
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 64621315
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine (CID 80949788) is 6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(Sc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine?
The InChIKey is DOJKAURFLWGIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-2-5-12-18-11(15)8-13(19-12)20-14-16-9-6-3-4-7-10(9)17-14/h3-4,6-8H,2,5H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine?
6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine has a molecular weight of 285.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80949788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).