5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid

C20H18N4O6 — CID 135434240

IUPAC5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCOc1ccc(CNC(=O)Nc2ccccc2-c2nc(C(=O)O)c(O)c(=O)[nH]2)cc1
InChIInChI=1S/C20H18N4O6/c1-30-12-8-6-11(7-9-12)10-21-20(29)22-14-5-3-2-4-13(14)17-23-15(19(27)28)16(25)18(26)24-17/h2-9,25H,10H2,1H3,(H,27,28)(H2,21,22,29)(H,23,24,26)
InChIKeyQWPGOJLHQOGEEB-UHFFFAOYSA-N
MW410.39 g/mol
LogP2.17
Rot. Bonds6

About 5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid

5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434240) has the molecular formula C20H18N4O6 and a molecular weight of 410.39 g/mol. Its IUPAC name is 5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434240
Molecular FormulaC20H18N4O6
Molecular Weight410.39 g/mol
Exact Mass410.12
IUPAC Name5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCOc1ccc(CNC(=O)Nc2ccccc2-c2nc(C(=O)O)c(O)c(=O)[nH]2)cc1
InChIInChI=1S/C20H18N4O6/c1-30-12-8-6-11(7-9-12)10-21-20(29)22-14-5-3-2-4-13(14)17-23-15(19(27)28)16(25)18(26)24-17/h2-9,25H,10H2,1H3,(H,27,28)(H2,21,22,29)(H,23,24,26)
InChIKeyQWPGOJLHQOGEEB-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434240) is 5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid is COc1ccc(CNC(=O)Nc2ccccc2-c2nc(C(=O)O)c(O)c(=O)[nH]2)cc1.
What is the InChIKey of 5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is QWPGOJLHQOGEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O6/c1-30-12-8-6-11(7-9-12)10-21-20(29)22-14-5-3-2-4-13(14)17-23-15(19(27)28)16(25)18(26)24-17/h2-9,25H,10H2,1H3,(H,27,28)(H2,21,22,29)(H,23,24,26).
What are the key properties of 5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 410.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[2-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).