2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine

C10H11N5S — CID 80892120

IUPAC2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
SMILESCc1cnc(Sc2cc(N)nc(C)n2)nc1
InChIInChI=1S/C10H11N5S/c1-6-4-12-10(13-5-6)16-9-3-8(11)14-7(2)15-9/h3-5H,1-2H3,(H2,11,14,15)
InChIKeyXVGFDTQNWSXLCQ-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.62
Rot. Bonds2

About 2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine

2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine (PubChem CID 80892120) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
PubChem CID80892120
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
SMILESCc1cnc(Sc2cc(N)nc(C)n2)nc1
InChIInChI=1S/C10H11N5S/c1-6-4-12-10(13-5-6)16-9-3-8(11)14-7(2)15-9/h3-5H,1-2H3,(H2,11,14,15)
InChIKeyXVGFDTQNWSXLCQ-UHFFFAOYSA-N
XLogP1.62
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine (CID 80892120) is 2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine is Cc1cnc(Sc2cc(N)nc(C)n2)nc1.
What is the InChIKey of 2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The InChIKey is XVGFDTQNWSXLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-6-4-12-10(13-5-6)16-9-3-8(11)14-7(2)15-9/h3-5H,1-2H3,(H2,11,14,15).
What are the key properties of 2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine has a molecular weight of 233.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80892120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).