2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

C15H25N3OS — CID 65144656

IUPAC2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(CSC2CCCCC2)n1
InChIInChI=1S/C15H25N3OS/c1-3-16-14-9-12(10-19-2)17-15(18-14)11-20-13-7-5-4-6-8-13/h9,13H,3-8,10-11H2,1-2H3,(H,16,17,18)
InChIKeyCPOKVMROXGUXNT-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.62
Rot. Bonds7

About 2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 65144656) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID65144656
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(CSC2CCCCC2)n1
InChIInChI=1S/C15H25N3OS/c1-3-16-14-9-12(10-19-2)17-15(18-14)11-20-13-7-5-4-6-8-13/h9,13H,3-8,10-11H2,1-2H3,(H,16,17,18)
InChIKeyCPOKVMROXGUXNT-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
N-ethyl-6-(methoxymethyl)-2-(2-methylpropyl)pyrimidin-4-amine
CID 62319502
N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66098661
2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65140283
5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine
CID 63487271
2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62318582
4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106015138
6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 113390479
6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine
CID 80937260
N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65144269
N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 115998400

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (CID 65144656) is 2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is CCNc1cc(COC)nc(CSC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is CPOKVMROXGUXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-16-14-9-12(10-19-2)17-15(18-14)11-20-13-7-5-4-6-8-13/h9,13H,3-8,10-11H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 295.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 65144656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).