6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine

C12H19N3S — CID 115331161

IUPAC6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine
SMILESCc1cc(N)nc(SC2CCC(C)CC2)n1
InChIInChI=1S/C12H19N3S/c1-8-3-5-10(6-4-8)16-12-14-9(2)7-11(13)15-12/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyKCPWHMNKGHWFGK-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.04
Rot. Bonds2

About 6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine

6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine (PubChem CID 115331161) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine
PubChem CID115331161
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine
SMILESCc1cc(N)nc(SC2CCC(C)CC2)n1
InChIInChI=1S/C12H19N3S/c1-8-3-5-10(6-4-8)16-12-14-9(2)7-11(13)15-12/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyKCPWHMNKGHWFGK-UHFFFAOYSA-N
XLogP3.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine (CID 115331161) is 6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine is Cc1cc(N)nc(SC2CCC(C)CC2)n1.
What is the InChIKey of 6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine?
The InChIKey is KCPWHMNKGHWFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-8-3-5-10(6-4-8)16-12-14-9(2)7-11(13)15-12/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine?
6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine has a molecular weight of 237.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 115331161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).