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

C12H19N3OS — CID 64722862

IUPAC2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
SMILESCCCNC1CCC(Sc2nccc(=O)[nH]2)C1
InChIInChI=1S/C12H19N3OS/c1-2-6-13-9-3-4-10(8-9)17-12-14-7-5-11(16)15-12/h5,7,9-10,13H,2-4,6,8H2,1H3,(H,14,15,16)
InChIKeyPEYAVAKSTYCXMK-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.78
Rot. Bonds5

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

2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 64722862) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID64722862
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
SMILESCCCNC1CCC(Sc2nccc(=O)[nH]2)C1
InChIInChI=1S/C12H19N3OS/c1-2-6-13-9-3-4-10(8-9)17-12-14-7-5-11(16)15-12/h5,7,9-10,13H,2-4,6,8H2,1H3,(H,14,15,16)
InChIKeyPEYAVAKSTYCXMK-UHFFFAOYSA-N
XLogP1.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one (CID 64722862) is 2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one is CCCNC1CCC(Sc2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is PEYAVAKSTYCXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-6-13-9-3-4-10(8-9)17-12-14-7-5-11(16)15-12/h5,7,9-10,13H,2-4,6,8H2,1H3,(H,14,15,16).
What are the key properties of 2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one?
2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 253.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64722862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).