6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile

C12H9N3O2 — CID 39246998

IUPAC6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile
SMILESCOc1ccccc1-c1cc(C#N)nc(=O)[nH]1
InChIInChI=1S/C12H9N3O2/c1-17-11-5-3-2-4-9(11)10-6-8(7-13)14-12(16)15-10/h2-6H,1H3,(H,14,15,16)
InChIKeyTYKMHDPKXDNOGN-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.32
Rot. Bonds2

About 6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile

6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile (PubChem CID 39246998) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile
PubChem CID39246998
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile
SMILESCOc1ccccc1-c1cc(C#N)nc(=O)[nH]1
InChIInChI=1S/C12H9N3O2/c1-17-11-5-3-2-4-9(11)10-6-8(7-13)14-12(16)15-10/h2-6H,1H3,(H,14,15,16)
InChIKeyTYKMHDPKXDNOGN-UHFFFAOYSA-N
XLogP1.32
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1472847
6-(2-methoxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1474393
6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
CID 39380251
5-(2,4-dimethoxy-3-methylphenyl)-1H-pyrazole-3-carbonitrile
CID 116858553
2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile
CID 57438381
2-(4-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]acetamide
CID 51098942
3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one
CID 82189666
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414
5-(2-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 22507236
6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 17067657
4-(dimethylamino)-8-methoxyquinoline-2-carbonitrile
CID 82242563
5-(2,3-dichloro-4-methoxyphenyl)-1H-pyrazole-3-carbonitrile
CID 116858586

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile?
The IUPAC name of 6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile (CID 39246998) is 6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile is COc1ccccc1-c1cc(C#N)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile?
The InChIKey is TYKMHDPKXDNOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-17-11-5-3-2-4-9(11)10-6-8(7-13)14-12(16)15-10/h2-6H,1H3,(H,14,15,16).
What are the key properties of 6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile?
6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile has a molecular weight of 227.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile is sourced from PubChem (CID 39246998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).