1-methoxypyrimidin-2-one

C5H6N2O2 — CID 13302365

IUPAC1-methoxypyrimidin-2-one
SMILESCOn1cccnc1=O
InChIInChI=1S/C5H6N2O2/c1-9-7-4-2-3-6-5(7)8/h2-4H,1H3
InChIKeyIQIXYSWKNKEJGE-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.70
Rot. Bonds1

About 1-methoxypyrimidin-2-one

1-methoxypyrimidin-2-one (PubChem CID 13302365) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 1-methoxypyrimidin-2-one.

Molecular Properties

Compound Name1-methoxypyrimidin-2-one
PubChem CID13302365
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name1-methoxypyrimidin-2-one
SMILESCOn1cccnc1=O
InChIInChI=1S/C5H6N2O2/c1-9-7-4-2-3-6-5(7)8/h2-4H,1H3
InChIKeyIQIXYSWKNKEJGE-UHFFFAOYSA-N
XLogP-0.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2(1H)-Pyrimidinone, 1-methyl-
CID 138031
1-Hydroxypyrimidin-2(1H)-one
CID 15649416
Pyrimidine-3-aldehyde
CID 18917974
N-vinyl pyrimidinone
CID 22929248
Pyrimidonal
CID 56991534
1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium
CID 817198
1-Oxopyrimidin-1-ium-2-one
CID 19591341
1-Butoxypyrimidin-2-one
CID 53858659
1-Oxidopyrimidin-2-one
CID 66554964
1,1-Dimethylpyrimidin-1-ium-2-one
CID 67148120
2-chloro-1-methoxy-2H-pyrimidine
CID 67913091
Pyrimidine-2-ol-1-oxide hydrochloride
CID 86720849

Frequently Asked Questions

What is the IUPAC name of 1-methoxypyrimidin-2-one?
The IUPAC name of 1-methoxypyrimidin-2-one (CID 13302365) is 1-methoxypyrimidin-2-one.
What is the SMILES notation for 1-methoxypyrimidin-2-one?
The canonical SMILES for 1-methoxypyrimidin-2-one is COn1cccnc1=O.
What is the InChIKey of 1-methoxypyrimidin-2-one?
The InChIKey is IQIXYSWKNKEJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-9-7-4-2-3-6-5(7)8/h2-4H,1H3.
What are the key properties of 1-methoxypyrimidin-2-one?
1-methoxypyrimidin-2-one has a molecular weight of 126.11 g/mol, XLogP of -0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypyrimidin-2-one is sourced from PubChem (CID 13302365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).