2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one

C10H15N3OS — CID 64722860

IUPAC2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
SMILESCNC1CCC(Sc2nccc(=O)[nH]2)C1
InChIInChI=1S/C10H15N3OS/c1-11-7-2-3-8(6-7)15-10-12-5-4-9(14)13-10/h4-5,7-8,11H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyDDLAZJAQCBDRGE-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.00
Rot. Bonds3

About 2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one

2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 64722860) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID64722860
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
SMILESCNC1CCC(Sc2nccc(=O)[nH]2)C1
InChIInChI=1S/C10H15N3OS/c1-11-7-2-3-8(6-7)15-10-12-5-4-9(14)13-10/h4-5,7-8,11H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyDDLAZJAQCBDRGE-UHFFFAOYSA-N
XLogP1.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopentyl-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-acetamide
CID 860085
2-(pentylsulfanyl)-4(3H)-pyrimidinone
CID 1562594
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentylacetamide
CID 8223588
N-[(2R)-heptan-2-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 8223617
N-[(2S)-heptan-2-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 8223619
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 9143689
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 9143693
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2S)-pentan-2-yl]acetamide
CID 9143696
(2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 9143846
(2R)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 9143848
N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 17621443
N-cyclopentyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide
CID 53544527

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one (CID 64722860) is 2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one is CNC1CCC(Sc2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is DDLAZJAQCBDRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-11-7-2-3-8(6-7)15-10-12-5-4-9(14)13-10/h4-5,7-8,11H,2-3,6H2,1H3,(H,12,13,14).
What are the key properties of 2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one?
2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 225.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64722860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).