2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine

C14H23N3S — CID 64633897

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine
SMILESCc1cc(C)nc(SC2CC(C)(C)CCC2N)n1
InChIInChI=1S/C14H23N3S/c1-9-7-10(2)17-13(16-9)18-12-8-14(3,4)6-5-11(12)15/h7,11-12H,5-6,8,15H2,1-4H3
InChIKeyHZSAIAWYVMIRPO-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.09
Rot. Bonds2

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine (PubChem CID 64633897) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine
PubChem CID64633897
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine
SMILESCc1cc(C)nc(SC2CC(C)(C)CCC2N)n1
InChIInChI=1S/C14H23N3S/c1-9-7-10(2)17-13(16-9)18-12-8-14(3,4)6-5-11(12)15/h7,11-12H,5-6,8,15H2,1-4H3
InChIKeyHZSAIAWYVMIRPO-UHFFFAOYSA-N
XLogP3.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine (CID 64633897) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine is Cc1cc(C)nc(SC2CC(C)(C)CCC2N)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine?
The InChIKey is HZSAIAWYVMIRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-9-7-10(2)17-13(16-9)18-12-8-14(3,4)6-5-11(12)15/h7,11-12H,5-6,8,15H2,1-4H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine has a molecular weight of 265.43 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64633897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).