6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde

C6H6N2O3 — CID 123399035

IUPAC6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde
SMILESC=C1C(C=O)=NC(=O)NC1O
InChIInChI=1S/C6H6N2O3/c1-3-4(2-9)7-6(11)8-5(3)10/h2,5,10H,1H2,(H,8,11)
InChIKeyIZGWQESNAOZMDI-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.78
Rot. Bonds1

About 6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde

6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde (PubChem CID 123399035) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde
PubChem CID123399035
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde
SMILESC=C1C(C=O)=NC(=O)NC1O
InChIInChI=1S/C6H6N2O3/c1-3-4(2-9)7-6(11)8-5(3)10/h2,5,10H,1H2,(H,8,11)
InChIKeyIZGWQESNAOZMDI-UHFFFAOYSA-N
XLogP-0.78
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-1,6-dihydropyrimidine-2,5-dione
CID 141306716
(5S)-5-hydroxyimidazolidine-2,4-dione
CID 40649061
4-hydroxyazetidine-2,3-dione
CID 56621119
6,9-diamino-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodeca-5,9-diene-4,11-dione
CID 118987303
4-hydroxy-7,8-dimethyl-10-(2-methylpropyl)-3,4-dihydrobenzo[g]pteridin-2-one
CID 101229104
(2R)-2-hydroxy-3-methyl-1,2-dihydropyrrol-5-one
CID 162893056
(5R)-4-amino-5-methyl-1,5-dihydroimidazol-2-one
CID 124512317
4-hydroxy-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbaldehyde
CID 130131440
2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid
CID 132555561
(3aR,4R,6aS)-4-hydroxy-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
CID 10534877
3-sulfanyl-3,4-dihydro-1,2,4-triazol-5-one
CID 170923467
4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde
CID 57333053

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde?
The IUPAC name of 6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde (CID 123399035) is 6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde?
The canonical SMILES for 6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde is C=C1C(C=O)=NC(=O)NC1O.
What is the InChIKey of 6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde?
The InChIKey is IZGWQESNAOZMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-3-4(2-9)7-6(11)8-5(3)10/h2,5,10H,1H2,(H,8,11).
What are the key properties of 6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde?
6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde has a molecular weight of 154.12 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methylidene-2-oxo-1,6-dihydropyrimidine-4-carbaldehyde is sourced from PubChem (CID 123399035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).