6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine

C11H13N5S — CID 80653859

IUPAC6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine
SMILESCc1cnc(SCc2nc(C)cc(N)n2)nc1
InChIInChI=1S/C11H13N5S/c1-7-4-13-11(14-5-7)17-6-10-15-8(2)3-9(12)16-10/h3-5H,6H2,1-2H3,(H2,12,15,16)
InChIKeyOKAFHNDEUVBKPX-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.76
Rot. Bonds3

About 6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine

6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 80653859) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID80653859
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine
SMILESCc1cnc(SCc2nc(C)cc(N)n2)nc1
InChIInChI=1S/C11H13N5S/c1-7-4-13-11(14-5-7)17-6-10-15-8(2)3-9(12)16-10/h3-5H,6H2,1-2H3,(H2,12,15,16)
InChIKeyOKAFHNDEUVBKPX-UHFFFAOYSA-N
XLogP1.76
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine (CID 80653859) is 6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine is Cc1cnc(SCc2nc(C)cc(N)n2)nc1.
What is the InChIKey of 6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is OKAFHNDEUVBKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-7-4-13-11(14-5-7)17-6-10-15-8(2)3-9(12)16-10/h3-5H,6H2,1-2H3,(H2,12,15,16).
What are the key properties of 6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine?
6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 247.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 80653859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).