N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine

C13H21N3S — CID 106972851

IUPACN-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NC2CCC(C)CC2C)ncn1
InChIInChI=1S/C13H21N3S/c1-9-4-5-11(10(2)6-9)16-12-7-13(17-3)15-8-14-12/h7-11H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyVOASMDJWHAZZLZ-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.44
Rot. Bonds3

About N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine

N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106972851) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine
PubChem CID106972851
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NC2CCC(C)CC2C)ncn1
InChIInChI=1S/C13H21N3S/c1-9-4-5-11(10(2)6-9)16-12-7-13(17-3)15-8-14-12/h7-11H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyVOASMDJWHAZZLZ-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine (CID 106972851) is N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine is CSc1cc(NC2CCC(C)CC2C)ncn1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is VOASMDJWHAZZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-4-5-11(10(2)6-9)16-12-7-13(17-3)15-8-14-12/h7-11H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine?
N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 251.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106972851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).