4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine

C15H17N5S — CID 80869687

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C15H17N5S/c1-3-8-16-14-17-9-10(2)13(20-14)21-15-18-11-6-4-5-7-12(11)19-15/h4-7,9H,3,8H2,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyCJBZEDOILATYKE-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.63
Rot. Bonds5

About 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine

4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 80869687) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine
PubChem CID80869687
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C15H17N5S/c1-3-8-16-14-17-9-10(2)13(20-14)21-15-18-11-6-4-5-7-12(11)19-15/h4-7,9H,3,8H2,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyCJBZEDOILATYKE-UHFFFAOYSA-N
XLogP3.63
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
CID 80930355
2-N,4-N-bis[2-(1H-benzimidazol-2-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 167768772
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80882835
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole
CID 63731224
N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine
CID 80885003
5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80884181
3-(propylamino)-1H-quinoxalin-2-one
CID 167442718
5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
CID 80889743
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine (CID 80869687) is 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(Sc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is CJBZEDOILATYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-3-8-16-14-17-9-10(2)13(20-14)21-15-18-11-6-4-5-7-12(11)19-15/h4-7,9H,3,8H2,1-2H3,(H,18,19)(H,16,17,20).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine?
4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80869687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).