5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine

C13H13N5S — CID 579089

IUPAC5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(CSc2nc3ccccc3[nH]2)c(N)n1
InChIInChI=1S/C13H13N5S/c1-8-15-6-9(12(14)16-8)7-19-13-17-10-4-2-3-5-11(10)18-13/h2-6H,7H2,1H3,(H,17,18)(H2,14,15,16)
InChIKeyKWEASXOZJZIFKQ-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.54
Rot. Bonds3

About 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine

5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine (PubChem CID 579089) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine
PubChem CID579089
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(CSc2nc3ccccc3[nH]2)c(N)n1
InChIInChI=1S/C13H13N5S/c1-8-15-6-9(12(14)16-8)7-19-13-17-10-4-2-3-5-11(10)18-13/h2-6H,7H2,1H3,(H,17,18)(H2,14,15,16)
InChIKeyKWEASXOZJZIFKQ-UHFFFAOYSA-N
XLogP2.54
TPSA80.48 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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine (CID 579089) is 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine is Cc1ncc(CSc2nc3ccccc3[nH]2)c(N)n1.
What is the InChIKey of 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine?
The InChIKey is KWEASXOZJZIFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8-15-6-9(12(14)16-8)7-19-13-17-10-4-2-3-5-11(10)18-13/h2-6H,7H2,1H3,(H,17,18)(H2,14,15,16).
What are the key properties of 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine?
5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine has a molecular weight of 271.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 579089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).