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

C19H15FN2O5 — CID 135434321

IUPAC2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1cccc(COc2cccc(-c3nc(C(=O)O)c(O)c(=O)[nH]3)c2)c1F
InChIInChI=1S/C19H15FN2O5/c1-10-4-2-6-12(14(10)20)9-27-13-7-3-5-11(8-13)17-21-15(19(25)26)16(23)18(24)22-17/h2-8,23H,9H2,1H3,(H,25,26)(H,21,22,24)
InChIKeyLJVUCBPBDZDPBT-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.87
Rot. Bonds5

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

2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434321) has the molecular formula C19H15FN2O5 and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434321
Molecular FormulaC19H15FN2O5
Molecular Weight370.34 g/mol
Exact Mass370.10
IUPAC Name2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1cccc(COc2cccc(-c3nc(C(=O)O)c(O)c(=O)[nH]3)c2)c1F
InChIInChI=1S/C19H15FN2O5/c1-10-4-2-6-12(14(10)20)9-27-13-7-3-5-11(8-13)17-21-15(19(25)26)16(23)18(24)22-17/h2-8,23H,9H2,1H3,(H,25,26)(H,21,22,24)
InChIKeyLJVUCBPBDZDPBT-UHFFFAOYSA-N
XLogP2.87
TPSA112.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Benzyloxyphenyl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid
CID 135434352
5-Hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.12,6.111,15]octacosa-1(26),2(28),5,11(27),12,14,22,24-octaene-4,7-dione
CID 164575492
trans-RdRP-IN-5
CID 165368573
(18E)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.12,6.111,15]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione
CID 165416338
4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135545032
5,6-Dihydroxy-2-[2-(phenoxymethyl)phenyl]pyrimidine-4-carboxylic acid
CID 135434251
2-{3-[(2-Chloro-4-fluorophenyl)methoxy]phenyl}-5,6-dihydroxypyrimidine-4-carboxylic acid
CID 135434301
5,6-Dihydroxy-2-(3-{[2-(trifluoromethyl)phenyl]methoxy}phenyl)pyrimidine-4-carboxylic acid
CID 135434325
2-{3-[(2,6-Dichlorophenyl)methoxy]phenyl}-5,6-dihydroxypyrimidine-4-carboxylic acid
CID 135434326
2-{3-[(3-Chlorophenyl)methoxy]phenyl}-5,6-dihydroxypyrimidine-4-carboxylic acid
CID 135434349
2-[3-(3-Cyanopropoxy)phenyl]-5,6-dihydroxypyrimidine-4-carboxylic acid
CID 135434351
5,6-Dihydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrimidine-4-carboxylic acid
CID 135434356

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434321) is 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is Cc1cccc(COc2cccc(-c3nc(C(=O)O)c(O)c(=O)[nH]3)c2)c1F.
What is the InChIKey of 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is LJVUCBPBDZDPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O5/c1-10-4-2-6-12(14(10)20)9-27-13-7-3-5-11(8-13)17-21-15(19(25)26)16(23)18(24)22-17/h2-8,23H,9H2,1H3,(H,25,26)(H,21,22,24).
What are the key properties of 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 370.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).