5-methoxy-1H-pyrimidin-2-one

C5H6N2O2 — CID 19816959

IUPAC5-methoxy-1H-pyrimidin-2-one
SMILESCOc1cnc(=O)[nH]c1
InChIInChI=1S/C5H6N2O2/c1-9-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8)
InChIKeyUNSHAGBDMCDYEN-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.22
Rot. Bonds1

About 5-methoxy-1H-pyrimidin-2-one

5-methoxy-1H-pyrimidin-2-one (PubChem CID 19816959) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 5-methoxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-methoxy-1H-pyrimidin-2-one
PubChem CID19816959
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name5-methoxy-1H-pyrimidin-2-one
SMILESCOc1cnc(=O)[nH]c1
InChIInChI=1S/C5H6N2O2/c1-9-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8)
InChIKeyUNSHAGBDMCDYEN-UHFFFAOYSA-N
XLogP-0.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-5-methoxy-1,2-dihydropyrimidin-2-one
CID 15422742
5-Tetrafluoroethoxypyrimidin-2-one
CID 129877081
Pyrimidine-2,5-diol
CID 134579
5-(trifluoromethoxy)-1H-pyrimidin-2-one
CID 90715557
5-Ethoxypyrimidin-2-ol
CID 15565268
1,5-dimethoxy-2H-pyrimidin-2-amine
CID 17848171
5-Methoxy-1,2-dihydropyrimidine
CID 19045882
5-Methoxy-2-selanylidenepyrimidine-1-carboxamide
CID 59306202
5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one
CID 89460216
5-propan-2-yloxy-1H-pyrimidin-2-one
CID 117231345
ethane;5-methoxy-1H-pyrimidin-2-one
CID 144154497
(5-ethoxy-1H-pyrimidin-2-ylidene)methanone
CID 176538925

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-pyrimidin-2-one?
The IUPAC name of 5-methoxy-1H-pyrimidin-2-one (CID 19816959) is 5-methoxy-1H-pyrimidin-2-one.
What is the SMILES notation for 5-methoxy-1H-pyrimidin-2-one?
The canonical SMILES for 5-methoxy-1H-pyrimidin-2-one is COc1cnc(=O)[nH]c1.
What is the InChIKey of 5-methoxy-1H-pyrimidin-2-one?
The InChIKey is UNSHAGBDMCDYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-9-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8).
What are the key properties of 5-methoxy-1H-pyrimidin-2-one?
5-methoxy-1H-pyrimidin-2-one has a molecular weight of 126.11 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-pyrimidin-2-one is sourced from PubChem (CID 19816959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).