N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine

C14H23N3S — CID 114124106

IUPACN-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC2CCC(SCC)C2)ncn1
InChIInChI=1S/C14H23N3S/c1-3-5-11-9-14(16-10-15-11)17-12-6-7-13(8-12)18-4-2/h9-10,12-13H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyGWVOXYHURORQNY-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.52
Rot. Bonds6

About N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine

N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine (PubChem CID 114124106) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine
PubChem CID114124106
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC2CCC(SCC)C2)ncn1
InChIInChI=1S/C14H23N3S/c1-3-5-11-9-14(16-10-15-11)17-12-6-7-13(8-12)18-4-2/h9-10,12-13H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyGWVOXYHURORQNY-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103704181
N-(2-methylcyclopropyl)-6-propylpyrimidin-4-amine
CID 62398962
9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470895
6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
CID 114123935
N-(6-propylpyrimidin-4-yl)azepan-4-amine
CID 107173664
N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine
CID 113244238
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine
CID 103704828
N-(3-ethylsulfanylcyclopentyl)-2-methylpyrimidin-4-amine
CID 103704839
N-(2-methyloxolan-3-yl)-6-propylpyrimidin-4-amine
CID 82728065
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815
5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103724876
ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241296

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine (CID 114124106) is N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine is CCCc1cc(NC2CCC(SCC)C2)ncn1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine?
The InChIKey is GWVOXYHURORQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-5-11-9-14(16-10-15-11)17-12-6-7-13(8-12)18-4-2/h9-10,12-13H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine?
N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine has a molecular weight of 265.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 114124106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).