6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one

C13H11N3O2 — CID 91050599

IUPAC6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one
SMILESCOc1cccc(-c2cnc(=O)[nH]c2N2C=C2)c1
InChIInChI=1S/C13H11N3O2/c1-18-10-4-2-3-9(7-10)11-8-14-13(17)15-12(11)16-5-6-16/h2-8H,1H3,(H,14,15,17)
InChIKeyQVLQNCQNGUPYSP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.74
Rot. Bonds3

About 6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one

6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one (PubChem CID 91050599) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one
PubChem CID91050599
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one
SMILESCOc1cccc(-c2cnc(=O)[nH]c2N2C=C2)c1
InChIInChI=1S/C13H11N3O2/c1-18-10-4-2-3-9(7-10)11-8-14-13(17)15-12(11)16-5-6-16/h2-8H,1H3,(H,14,15,17)
InChIKeyQVLQNCQNGUPYSP-UHFFFAOYSA-N
XLogP1.74
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one
CID 125458438
6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82384684
4-ethyl-5-(3-methoxyphenyl)pyridin-2-amine
CID 171854790
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
CID 76538776
3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
CID 132588517
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol
CID 67689440
4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole
CID 141358223
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442

Frequently Asked Questions

What is the IUPAC name of 6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one (CID 91050599) is 6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one is COc1cccc(-c2cnc(=O)[nH]c2N2C=C2)c1.
What is the InChIKey of 6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one?
The InChIKey is QVLQNCQNGUPYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-10-4-2-3-9(7-10)11-8-14-13(17)15-12(11)16-5-6-16/h2-8H,1H3,(H,14,15,17).
What are the key properties of 6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one?
6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one has a molecular weight of 241.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 91050599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).