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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Related Compounds

4-Pyrimidinamine, 2,2'-(1,4-butanediylbis(thio))bis(6-methyl-
CID 13285559
2-{[3-(Dimethylamino)propyl]sulfanyl}-6-methylpyrimidin-4-amine
CID 3313796
4-Amino-2-isopropylthio-6-methylpyrimidine
CID 115279565
6-Methyl-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-4-amine
CID 60425298
2-(2-Fluoroethylsulfanyl)-6-methylpyrimidin-4-amine
CID 79026200
2-(3-Fluoropropylsulfanyl)-6-methylpyrimidin-4-amine
CID 81434419
2-[(4-Amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile
CID 113808240
4-(3-Methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566820
6-Methyl-2-(4,4,4-trifluorobutylsulfanyl)pyrimidin-4-amine
CID 115514197
6-Methyl-2-(3,3,3-trifluoro-2-methylpropyl)sulfanylpyrimidin-4-amine
CID 126798937
[2-(4-Amino-6-methylpyrimidin-2-ylthio)propyl]dimethylamine
CID 3908136
2-Ethylsulfanyl-6-methylpyrimidin-4-amine
CID 350626

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).