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

C19H16N2O6 — CID 135434356

IUPAC5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCOc1cccc(COc2cccc(-c3nc(C(=O)O)c(O)c(=O)[nH]3)c2)c1
InChIInChI=1S/C19H16N2O6/c1-26-13-6-2-4-11(8-13)10-27-14-7-3-5-12(9-14)17-20-15(19(24)25)16(22)18(23)21-17/h2-9,22H,10H2,1H3,(H,24,25)(H,20,21,23)
InChIKeyDQMXBFOIGHQPSJ-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.43
Rot. Bonds6

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

5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434356) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is 5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434356
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCOc1cccc(COc2cccc(-c3nc(C(=O)O)c(O)c(=O)[nH]3)c2)c1
InChIInChI=1S/C19H16N2O6/c1-26-13-6-2-4-11(8-13)10-27-14-7-3-5-12(9-14)17-20-15(19(24)25)16(22)18(23)21-17/h2-9,22H,10H2,1H3,(H,24,25)(H,20,21,23)
InChIKeyDQMXBFOIGHQPSJ-UHFFFAOYSA-N
XLogP2.43
TPSA121.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434356) is 5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid is COc1cccc(COc2cccc(-c3nc(C(=O)O)c(O)c(=O)[nH]3)c2)c1.
What is the InChIKey of 5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is DQMXBFOIGHQPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-26-13-6-2-4-11(8-13)10-27-14-7-3-5-12(9-14)17-20-15(19(24)25)16(22)18(23)21-17/h2-9,22H,10H2,1H3,(H,24,25)(H,20,21,23).
What are the key properties of 5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 368.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).