4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine

C13H13N5S — CID 80883757

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C13H13N5S/c1-8-7-11(18-12(14-2)15-8)19-13-16-9-5-3-4-6-10(9)17-13/h3-7H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyIGQWKJFWUMCDOL-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.85
Rot. Bonds3

About 4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine

4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine (PubChem CID 80883757) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
PubChem CID80883757
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C13H13N5S/c1-8-7-11(18-12(14-2)15-8)19-13-16-9-5-3-4-6-10(9)17-13/h3-7H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyIGQWKJFWUMCDOL-UHFFFAOYSA-N
XLogP2.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1H-benzimidazol-2-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine
CID 80883058
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
4-(1,3-benzoxazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80893922
N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884550
N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80883368
2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-benzimidazole
CID 114562998
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 64621315
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine
CID 911699
2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 63586553
6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine
CID 80949788
6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
CID 71321593

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine (CID 80883757) is 4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(Sc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is IGQWKJFWUMCDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8-7-11(18-12(14-2)15-8)19-13-16-9-5-3-4-6-10(9)17-13/h3-7H,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine?
4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 271.35 g/mol, XLogP of 2.85, 3 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)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80883757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).