4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one

C11H16N2O3 — CID 63613818

IUPAC4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCOC2)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-2-3-8-10(14)12-9(13-11(8)15)7-4-5-16-6-7/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyQFFGZFLZJAOMGJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.93
Rot. Bonds3

About 4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one

4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 63613818) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one
PubChem CID63613818
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCOC2)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-2-3-8-10(14)12-9(13-11(8)15)7-4-5-16-6-7/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyQFFGZFLZJAOMGJ-UHFFFAOYSA-N
XLogP0.93
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146611
2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 113780657
4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one
CID 46734450
2-butyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 46734494
4-hydroxy-2-(oxan-4-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 55216635
2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63611287
4-hydroxy-2-pentan-3-yl-5-propyl-1H-pyrimidin-6-one
CID 63611288
4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 63611434
4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one
CID 63611789
4-hydroxy-2-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612119
4-hydroxy-2-(oxolan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612306
5-ethyl-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 63612636

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one (CID 63613818) is 4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2CCOC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is QFFGZFLZJAOMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-3-8-10(14)12-9(13-11(8)15)7-4-5-16-6-7/h7H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63613818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).