5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C15H22N2O2S2 — CID 103344653

IUPAC5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC1SCC(c2nc(O)c(C3CCCC3)c(=O)[nH]2)SC1C
InChIInChI=1S/C15H22N2O2S2/c1-8-9(2)21-11(7-20-8)13-16-14(18)12(15(19)17-13)10-5-3-4-6-10/h8-11H,3-7H2,1-2H3,(H2,16,17,18,19)
InChIKeySKLOOGHUGBJQQI-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.43
Rot. Bonds2

About 5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one

5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 103344653) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID103344653
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC1SCC(c2nc(O)c(C3CCCC3)c(=O)[nH]2)SC1C
InChIInChI=1S/C15H22N2O2S2/c1-8-9(2)21-11(7-20-8)13-16-14(18)12(15(19)17-13)10-5-3-4-6-10/h8-11H,3-7H2,1-2H3,(H2,16,17,18,19)
InChIKeySKLOOGHUGBJQQI-UHFFFAOYSA-N
XLogP3.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 103344653) is 5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one is CC1SCC(c2nc(O)c(C3CCCC3)c(=O)[nH]2)SC1C.
What is the InChIKey of 5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is SKLOOGHUGBJQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-8-9(2)21-11(7-20-8)13-16-14(18)12(15(19)17-13)10-5-3-4-6-10/h8-11H,3-7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 326.49 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103344653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).