2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid

C20H18N4O6 — CID 135434291

IUPAC2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCCOc1ccc(NC(=O)Nc2cccc(-c3nc(C(=O)O)c(O)c(=O)[nH]3)c2)cc1
InChIInChI=1S/C20H18N4O6/c1-2-30-14-8-6-12(7-9-14)21-20(29)22-13-5-3-4-11(10-13)17-23-15(19(27)28)16(25)18(26)24-17/h3-10,25H,2H2,1H3,(H,27,28)(H2,21,22,29)(H,23,24,26)
InChIKeyORWRQSQHCRCWJL-UHFFFAOYSA-N
MW410.39 g/mol
LogP2.88
Rot. Bonds6

About 2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid

2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434291) has the molecular formula C20H18N4O6 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434291
Molecular FormulaC20H18N4O6
Molecular Weight410.39 g/mol
Exact Mass410.12
IUPAC Name2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCCOc1ccc(NC(=O)Nc2cccc(-c3nc(C(=O)O)c(O)c(=O)[nH]3)c2)cc1
InChIInChI=1S/C20H18N4O6/c1-2-30-14-8-6-12(7-9-14)21-20(29)22-13-5-3-4-11(10-13)17-23-15(19(27)28)16(25)18(26)24-17/h3-10,25H,2H2,1H3,(H,27,28)(H2,21,22,29)(H,23,24,26)
InChIKeyORWRQSQHCRCWJL-UHFFFAOYSA-N
XLogP2.88
TPSA153.64 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 52.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434291) is 2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is CCOc1ccc(NC(=O)Nc2cccc(-c3nc(C(=O)O)c(O)c(=O)[nH]3)c2)cc1.
What is the InChIKey of 2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is ORWRQSQHCRCWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O6/c1-2-30-14-8-6-12(7-9-14)21-20(29)22-13-5-3-4-11(10-13)17-23-15(19(27)28)16(25)18(26)24-17/h3-10,25H,2H2,1H3,(H,27,28)(H2,21,22,29)(H,23,24,26).
What are the key properties of 2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 410.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-ethoxyphenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).