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

C10H15N3OS — CID 64611143

IUPAC2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
SMILESCNC1CCCC1Sc1nccc(=O)[nH]1
InChIInChI=1S/C10H15N3OS/c1-11-7-3-2-4-8(7)15-10-12-6-5-9(14)13-10/h5-8,11H,2-4H2,1H3,(H,12,13,14)
InChIKeyMUMSABLOSGFESY-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.00
Rot. Bonds3

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

2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 64611143) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID64611143
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
SMILESCNC1CCCC1Sc1nccc(=O)[nH]1
InChIInChI=1S/C10H15N3OS/c1-11-7-3-2-4-8(7)15-10-12-6-5-9(14)13-10/h5-8,11H,2-4H2,1H3,(H,12,13,14)
InChIKeyMUMSABLOSGFESY-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one (CID 64611143) is 2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one is CNC1CCCC1Sc1nccc(=O)[nH]1.
What is the InChIKey of 2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is MUMSABLOSGFESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-11-7-3-2-4-8(7)15-10-12-6-5-9(14)13-10/h5-8,11H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one?
2-[2-(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-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64611143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).