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

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Related Compounds

3-[2-(cyclopentylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
CID 65140797
2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 65144264
2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 65144312
2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65140383
4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodo-6-methylpyrimidine
CID 66292323
2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 65140533
2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-methylethanamine
CID 62746334
5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66307473
2-cyclohexylsulfanyl-N-methylethanamine
CID 46741497
1-[2-(cyclopentylsulfanylmethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 81426131
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 103988011
2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65140741

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).