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

C13H13N5S — CID 80892676

IUPAC2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCc1ccc2nc(Sc3cc(N)nc(C)n3)[nH]c2c1
InChIInChI=1S/C13H13N5S/c1-7-3-4-9-10(5-7)18-13(17-9)19-12-6-11(14)15-8(2)16-12/h3-6H,1-2H3,(H,17,18)(H2,14,15,16)
InChIKeyZZLKDRBHLVUVRT-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.70
Rot. Bonds2

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

2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80892676) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80892676
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCc1ccc2nc(Sc3cc(N)nc(C)n3)[nH]c2c1
InChIInChI=1S/C13H13N5S/c1-7-3-4-9-10(5-7)18-13(17-9)19-12-6-11(14)15-8(2)16-12/h3-6H,1-2H3,(H,17,18)(H2,14,15,16)
InChIKeyZZLKDRBHLVUVRT-UHFFFAOYSA-N
XLogP2.70
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769891
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 62873903
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine
CID 62874588
3-fluoro-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874412
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892293
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
CID 62482154
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3H-benzimidazol-5-amine
CID 61372787
3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 102818482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 80892676) is 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine is Cc1ccc2nc(Sc3cc(N)nc(C)n3)[nH]c2c1.
What is the InChIKey of 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is ZZLKDRBHLVUVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-7-3-4-9-10(5-7)18-13(17-9)19-12-6-11(14)15-8(2)16-12/h3-6H,1-2H3,(H,17,18)(H2,14,15,16).
What are the key properties of 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine?
2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 271.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80892676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).