N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine

C12H19N3S — CID 64724101

IUPACN-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2ncc(C)cn2)C1
InChIInChI=1S/C12H19N3S/c1-3-13-10-4-5-11(6-10)16-12-14-7-9(2)8-15-12/h7-8,10-11,13H,3-6H2,1-2H3
InChIKeyZHHOSUZXQAXBLV-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.41
Rot. Bonds4

About N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine

N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine (PubChem CID 64724101) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
PubChem CID64724101
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2ncc(C)cn2)C1
InChIInChI=1S/C12H19N3S/c1-3-13-10-4-5-11(6-10)16-12-14-7-9(2)8-15-12/h7-8,10-11,13H,3-6H2,1-2H3
InChIKeyZHHOSUZXQAXBLV-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(Cyclopentylsulfanyl)pyrimidin-5-yl]ethan-1-amine
CID 104226386
2-{[2-(Propylthio)pyrimidin-5-yl]methyl}-2,8-diazaspiro[4.5]decane
CID 56712606
7-{[2-(Propylthio)pyrimidin-5-yl]methyl}-2,7-diazaspiro[4.5]decane
CID 56757294
rel-(3aS,6aS)-1-{[2-(propylthio)-5-pyrimidinyl]methyl}octahydropyrrolo[3,4-b]pyrrole dihydrochloride
CID 70748701
4-Pyrimidinamine, 5-bromo-N-cyclopentyl-2-(methylthio)-
CID 60127791
N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 141160243
N-heptan-3-yl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 168893743
2-methylsulfanyl-N-pentan-3-yl-5-(trifluoromethyl)pyrimidin-4-amine
CID 169841493
N-(4,4-difluorocyclohexyl)-5-(ethylaminomethyl)-2-methylsulfanylpyrimidin-4-amine
CID 178145750
2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55092304
4,4,4-Trifluoro-3-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 61382874
3,3,3-Trifluoro-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 61382990

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine (CID 64724101) is N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine is CCNC1CCC(Sc2ncc(C)cn2)C1.
What is the InChIKey of N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine?
The InChIKey is ZHHOSUZXQAXBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-3-13-10-4-5-11(6-10)16-12-14-7-9(2)8-15-12/h7-8,10-11,13H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine?
N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine is sourced from PubChem (CID 64724101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).