2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

C15H25N3OS — CID 136913794

IUPAC2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC(NC)C2CCCC2)n1
InChIInChI=1S/C15H25N3OS/c1-3-6-12-9-14(19)18-15(17-12)20-10-13(16-2)11-7-4-5-8-11/h9,11,13,16H,3-8,10H2,1-2H3,(H,17,18,19)
InChIKeyKHPPDJPIUNUHME-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.59
Rot. Bonds7

About 2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 136913794) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
PubChem CID136913794
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC(NC)C2CCCC2)n1
InChIInChI=1S/C15H25N3OS/c1-3-6-12-9-14(19)18-15(17-12)20-10-13(16-2)11-7-4-5-8-11/h9,11,13,16H,3-8,10H2,1-2H3,(H,17,18,19)
InChIKeyKHPPDJPIUNUHME-UHFFFAOYSA-N
XLogP2.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136913789
2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135906782
2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136913802
N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135488271
2-(oxolan-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135537400
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 135423612
(2S)-N-cyclopropyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135720241
2-[2-amino-2-(4-fluorophenyl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136857296
4-propyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
CID 136685059
2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135788762
1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 104755571
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cycloheptane-1-carbonitrile
CID 135932244

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (CID 136913794) is 2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCC(NC)C2CCCC2)n1.
What is the InChIKey of 2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is KHPPDJPIUNUHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-6-12-9-14(19)18-15(17-12)20-10-13(16-2)11-7-4-5-8-11/h9,11,13,16H,3-8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 295.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136913794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).