2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine

C16H27N3S — CID 65144126

IUPAC2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(CSC2CCCCC2)nc1C
InChIInChI=1S/C16H27N3S/c1-12-15(9-10-17-3)13(2)19-16(18-12)11-20-14-7-5-4-6-8-14/h14,17H,4-11H2,1-3H3
InChIKeyWYLYWDNDEURHSP-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.42
Rot. Bonds6

About 2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine

2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 65144126) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
PubChem CID65144126
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(CSC2CCCCC2)nc1C
InChIInChI=1S/C16H27N3S/c1-12-15(9-10-17-3)13(2)19-16(18-12)11-20-14-7-5-4-6-8-14/h14,17H,4-11H2,1-3H3
InChIKeyWYLYWDNDEURHSP-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine (CID 65144126) is 2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine is CNCCc1c(C)nc(CSC2CCCCC2)nc1C.
What is the InChIKey of 2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is WYLYWDNDEURHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12-15(9-10-17-3)13(2)19-16(18-12)11-20-14-7-5-4-6-8-14/h14,17H,4-11H2,1-3H3.
What are the key properties of 2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine?
2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 293.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 65144126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).