6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine

C12H19N3S — CID 80889416

IUPAC6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(SC2CCCC2)c1C
InChIInChI=1S/C12H19N3S/c1-3-13-11-9(2)12(15-8-14-11)16-10-6-4-5-7-10/h8,10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeySCUSFFXEUQEXOL-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.25
Rot. Bonds4

About 6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine

6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80889416) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80889416
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(SC2CCCC2)c1C
InChIInChI=1S/C12H19N3S/c1-3-13-11-9(2)12(15-8-14-11)16-10-6-4-5-7-10/h8,10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeySCUSFFXEUQEXOL-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-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

6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
CID 80889758
N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80885461
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80791299
N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
CID 80887110
6-(cyclohexylmethoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80880319
4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80761845
4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80827161
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80894072
6-cyclohexylsulfanyl-5-nitro-N-propylpyrimidin-4-amine
CID 80886211
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326
2-(6-cyclohexylsulfanyl-5-methylpyrimidin-4-yl)ethynamine
CID 149399886
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80893146

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine (CID 80889416) is 6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(SC2CCCC2)c1C.
What is the InChIKey of 6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is SCUSFFXEUQEXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-3-13-11-9(2)12(15-8-14-11)16-10-6-4-5-7-10/h8,10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine?
6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 237.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80889416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).