6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine

C13H21N3S — CID 114123935

IUPAC6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
SMILESCCc1cc(NC2CCC(SC)CC2)ncn1
InChIInChI=1S/C13H21N3S/c1-3-10-8-13(15-9-14-10)16-11-4-6-12(17-2)7-5-11/h8-9,11-12H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyHLWYAGQZMDDSSD-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.13
Rot. Bonds4

About 6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine

6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine (PubChem CID 114123935) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
PubChem CID114123935
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
SMILESCCc1cc(NC2CCC(SC)CC2)ncn1
InChIInChI=1S/C13H21N3S/c1-3-10-8-13(15-9-14-10)16-11-4-6-12(17-2)7-5-11/h8-9,11-12H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyHLWYAGQZMDDSSD-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-N-(4-methylsulfanylcyclohexyl)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

6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103704181
4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 61240888
N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine
CID 115880999
N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine
CID 114124106
2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile
CID 55248845
6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 144655156
5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64668199
4-[(6-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 105023361
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
CID 80897461
1-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]-3-sulfanylbutan-1-one
CID 170045595
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine (CID 114123935) is 6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine is CCc1cc(NC2CCC(SC)CC2)ncn1.
What is the InChIKey of 6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine?
The InChIKey is HLWYAGQZMDDSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-3-10-8-13(15-9-14-10)16-11-4-6-12(17-2)7-5-11/h8-9,11-12H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine?
6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine has a molecular weight of 251.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 114123935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).