6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine

C14H22ClN3S — CID 114123758

IUPAC6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC1CCCC(SC)C1
InChIInChI=1S/C14H22ClN3S/c1-3-5-12-13(15)16-9-17-14(12)18-10-6-4-7-11(8-10)19-2/h9-11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyUGSPGVXMUDISSJ-UHFFFAOYSA-N
MW299.87 g/mol
LogP4.17
Rot. Bonds5

About 6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine

6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine (PubChem CID 114123758) has the molecular formula C14H22ClN3S and a molecular weight of 299.87 g/mol. Its IUPAC name is 6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine
PubChem CID114123758
Molecular FormulaC14H22ClN3S
Molecular Weight299.87 g/mol
Exact Mass299.12
IUPAC Name6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC1CCCC(SC)C1
InChIInChI=1S/C14H22ClN3S/c1-3-5-12-13(15)16-9-17-14(12)18-10-6-4-7-11(8-10)19-2/h9-11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyUGSPGVXMUDISSJ-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-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-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine
CID 114123827
6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine
CID 83028527
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 63729756
3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine
CID 114123728
N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55229488
6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130965
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine
CID 63728697
6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine
CID 64732155
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
6-chloro-N-(3-methylsulfanylpropyl)-5-propylpyrimidin-4-amine
CID 63959272

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine (CID 114123758) is 6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NC1CCCC(SC)C1.
What is the InChIKey of 6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine?
The InChIKey is UGSPGVXMUDISSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3S/c1-3-5-12-13(15)16-9-17-14(12)18-10-6-4-7-11(8-10)19-2/h9-11H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine?
6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine has a molecular weight of 299.87 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 114123758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).