6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine

C12H19N3S — CID 103704181

IUPAC6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
SMILESCCc1cc(NC2CCC(SC)C2)ncn1
InChIInChI=1S/C12H19N3S/c1-3-9-7-12(14-8-13-9)15-10-4-5-11(6-10)16-2/h7-8,10-11H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyOMROHMHREHBILW-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.73
Rot. Bonds4

About 6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine

6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine (PubChem CID 103704181) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
PubChem CID103704181
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
SMILESCCc1cc(NC2CCC(SC)C2)ncn1
InChIInChI=1S/C12H19N3S/c1-3-9-7-12(14-8-13-9)15-10-4-5-11(6-10)16-2/h7-8,10-11H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyOMROHMHREHBILW-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
CID 114123935
N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine
CID 114124106
4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 61240888
N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine
CID 115880999
6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 144655156
6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
CID 114124181
2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778341
5-methyl-N-(3-methylsulfanylcyclopentyl)pyridin-2-amine
CID 103704113
2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile
CID 55248845
5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64668199
6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine
CID 114123827
4-[(6-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 105023361

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine (CID 103704181) is 6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine is CCc1cc(NC2CCC(SC)C2)ncn1.
What is the InChIKey of 6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine?
The InChIKey is OMROHMHREHBILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-3-9-7-12(14-8-13-9)15-10-4-5-11(6-10)16-2/h7-8,10-11H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine?
6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine has a molecular weight of 237.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine is sourced from PubChem (CID 103704181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).