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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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).