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

C13H20ClN3S — CID 114123827

IUPAC6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC1CCC(SC)C1
InChIInChI=1S/C13H20ClN3S/c1-3-4-11-12(14)15-8-16-13(11)17-9-5-6-10(7-9)18-2/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyFWHXSECNLPUKDP-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.78
Rot. Bonds5

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

6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine (PubChem CID 114123827) has the molecular formula C13H20ClN3S and a molecular weight of 285.84 g/mol. Its IUPAC name is 6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine
PubChem CID114123827
Molecular FormulaC13H20ClN3S
Molecular Weight285.84 g/mol
Exact Mass285.11
IUPAC Name6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC1CCC(SC)C1
InChIInChI=1S/C13H20ClN3S/c1-3-4-11-12(14)15-8-16-13(11)17-9-5-6-10(7-9)18-2/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyFWHXSECNLPUKDP-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine
CID 114123758
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 63729756
6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine
CID 83028527
N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55229488
6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine
CID 64732155
6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103704181
6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130965
N-(3-methylsulfanylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 103704155
N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 113244147
6-chloro-N-(3-methylsulfanylpropyl)-5-propylpyrimidin-4-amine
CID 63959272
6-hydrazinyl-5-propyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
CID 80901761

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine (CID 114123827) is 6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NC1CCC(SC)C1.
What is the InChIKey of 6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine?
The InChIKey is FWHXSECNLPUKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3S/c1-3-4-11-12(14)15-8-16-13(11)17-9-5-6-10(7-9)18-2/h8-10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine?
6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine has a molecular weight of 285.84 g/mol, XLogP of 3.78, 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-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 114123827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).