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

C9H12N2O3 — CID 63613294

IUPAC4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CCOC2)[nH]c1=O
InChIInChI=1S/C9H12N2O3/c1-5-8(12)10-7(11-9(5)13)6-2-3-14-4-6/h6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyKTNGDVLHAZRXRZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.29
Rot. Bonds1

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

4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one (PubChem CID 63613294) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one
PubChem CID63613294
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CCOC2)[nH]c1=O
InChIInChI=1S/C9H12N2O3/c1-5-8(12)10-7(11-9(5)13)6-2-3-14-4-6/h6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyKTNGDVLHAZRXRZ-UHFFFAOYSA-N
XLogP0.29
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one (CID 63613294) is 4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one is Cc1c(O)nc(C2CCOC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is KTNGDVLHAZRXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-8(12)10-7(11-9(5)13)6-2-3-14-4-6/h6H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63613294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).