N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine

C12H19N3S — CID 103704805

IUPACN-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
SMILESCCSC1CCC(Nc2nccc(C)n2)C1
InChIInChI=1S/C12H19N3S/c1-3-16-11-5-4-10(8-11)15-12-13-7-6-9(2)14-12/h6-7,10-11H,3-5,8H2,1-2H3,(H,13,14,15)
InChIKeyZDXBAAKMTAZYOH-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.87
Rot. Bonds4

About N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine

N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine (PubChem CID 103704805) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
PubChem CID103704805
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
SMILESCCSC1CCC(Nc2nccc(C)n2)C1
InChIInChI=1S/C12H19N3S/c1-3-16-11-5-4-10(8-11)15-12-13-7-6-9(2)14-12/h6-7,10-11H,3-5,8H2,1-2H3,(H,13,14,15)
InChIKeyZDXBAAKMTAZYOH-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-2-methylpyrimidin-4-amine
CID 103704839
N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine
CID 113244238
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815
5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103724876
N-(3-methoxycyclopentyl)-4-methylpyrimidin-2-amine
CID 103081989
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083
N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103704832
N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine
CID 103704813
4-methyl-N-piperidin-4-ylpyrimidin-2-amine
CID 59744254
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine
CID 103704828
5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114124204
N-(3-ethylsulfanylcyclopentyl)-5-nitropyridin-2-amine
CID 113244226

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine (CID 103704805) is N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine is CCSC1CCC(Nc2nccc(C)n2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine?
The InChIKey is ZDXBAAKMTAZYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-3-16-11-5-4-10(8-11)15-12-13-7-6-9(2)14-12/h6-7,10-11H,3-5,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine?
N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine has a molecular weight of 237.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 103704805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).