6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile

C11H7N3O3 — CID 71530939

IUPAC6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccc(O)cc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H7N3O3/c12-5-8-9(13-11(17)14-10(8)16)6-1-3-7(15)4-2-6/h1-4,15H,(H2,13,14,16,17)
InChIKeyLNMWCJMERYPIMH-UHFFFAOYSA-N
MW229.19 g/mol
LogP0.31
Rot. Bonds1

About 6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile

6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile (PubChem CID 71530939) has the molecular formula C11H7N3O3 and a molecular weight of 229.19 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile
PubChem CID71530939
Molecular FormulaC11H7N3O3
Molecular Weight229.19 g/mol
Exact Mass229.05
IUPAC Name6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccc(O)cc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H7N3O3/c12-5-8-9(13-11(17)14-10(8)16)6-1-3-7(15)4-2-6/h1-4,15H,(H2,13,14,16,17)
InChIKeyLNMWCJMERYPIMH-UHFFFAOYSA-N
XLogP0.31
TPSA109.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,3-benzodioxol-5-yl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile
CID 13381269
4-ethyl-5-(4-hydroxyphenyl)-1,3-dihydroimidazol-2-one
CID 105456047
2-amino-4-[2-(4-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393911
1-(4-methylphenyl)-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 15026822
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
2,4-dioxo-6-sulfanyl-1H-pyrimidine-5-carbonitrile
CID 87113714
4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586115
1-(4-bromophenyl)-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 71501817
4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 11369958
6-(3-iodophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 21231577
2-[3-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)phenyl]benzoic acid
CID 134433718
methyl 4-(4-cyano-3-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-1-yl)benzoate
CID 71499554

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile (CID 71530939) is 6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2ccc(O)cc2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is LNMWCJMERYPIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3/c12-5-8-9(13-11(17)14-10(8)16)6-1-3-7(15)4-2-6/h1-4,15H,(H2,13,14,16,17).
What are the key properties of 6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile?
6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 229.19 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 71530939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).