4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one

C8H12N2O3 — CID 116705670

IUPAC4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one
SMILESCCC(OC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-3-5(13-2)8-9-6(11)4-7(12)10-8/h4-5H,3H2,1-2H3,(H2,9,10,11,12)
InChIKeyHNRJRVOYWGYLPC-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.57
Rot. Bonds3

About 4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one

4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one (PubChem CID 116705670) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one
PubChem CID116705670
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one
SMILESCCC(OC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-3-5(13-2)8-9-6(11)4-7(12)10-8/h4-5H,3H2,1-2H3,(H2,9,10,11,12)
InChIKeyHNRJRVOYWGYLPC-UHFFFAOYSA-N
XLogP0.57
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 20689207
2-(Methoxymethyl)pyrimidine-4,6-diol
CID 53438120
4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 63613425
2-(Ethoxymethyl)-6-hydroxy-3,4-dihydropyrimidin-4-one
CID 65668006
2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one
CID 10855682
2-(hydroxymethyl)-4-methoxy-1H-pyrimidin-6-one
CID 14493330
4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63613772
2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 64540254
2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
4-hydroxy-2-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 65094965
4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331574

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one (CID 116705670) is 4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one is CCC(OC)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one?
The InChIKey is HNRJRVOYWGYLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-5(13-2)8-9-6(11)4-7(12)10-8/h4-5H,3H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).