4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one

C9H14N2O3 — CID 63612277

IUPAC4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-3-4-14-5-7-10-8(12)6(2)9(13)11-7/h3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyVGZKEMUXMZGTMF-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.71
Rot. Bonds4

About 4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one (PubChem CID 63612277) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
PubChem CID63612277
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-3-4-14-5-7-10-8(12)6(2)9(13)11-7/h3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyVGZKEMUXMZGTMF-UHFFFAOYSA-N
XLogP0.71
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one (CID 63612277) is 4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one is CCCOCc1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is VGZKEMUXMZGTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-4-14-5-7-10-8(12)6(2)9(13)11-7/h3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.71, 4 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-(propoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63612277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).