4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine

C15H17N5S — CID 80882835

IUPAC4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Sc2nc3ccc(C)cc3[nH]2)n1
InChIInChI=1S/C15H17N5S/c1-3-7-16-14-17-8-6-13(20-14)21-15-18-11-5-4-10(2)9-12(11)19-15/h4-6,8-9H,3,7H2,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyOKVXOEVCYZGPRQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.63
Rot. Bonds5

About 4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine

4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine (PubChem CID 80882835) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
PubChem CID80882835
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Sc2nc3ccc(C)cc3[nH]2)n1
InChIInChI=1S/C15H17N5S/c1-3-7-16-14-17-8-6-13(20-14)21-15-18-11-5-4-10(2)9-12(11)19-15/h4-6,8-9H,3,7H2,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyOKVXOEVCYZGPRQ-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

N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892293
4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80873237
4-(3,4-dichlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891234
[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 113368309
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
4-(4-chlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80888094
4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine
CID 80869687
2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892676
[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769891
4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80886291
4-methyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]aniline
CID 63517780
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 2172545

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine (CID 80882835) is 4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine is CCCNc1nccc(Sc2nc3ccc(C)cc3[nH]2)n1.
What is the InChIKey of 4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The InChIKey is OKVXOEVCYZGPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-3-7-16-14-17-8-6-13(20-14)21-15-18-11-5-4-10(2)9-12(11)19-15/h4-6,8-9H,3,7H2,1-2H3,(H,18,19)(H,16,17,20).
What are the key properties of 4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-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-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80882835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).