2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid

C20H17N3O5 — CID 10293083

IUPAC2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
SMILESCOc1ccc(-c2ncc(NC(=O)c3ccccc3)c(=O)n2CC(=O)O)cc1
InChIInChI=1S/C20H17N3O5/c1-28-15-9-7-13(8-10-15)18-21-11-16(20(27)23(18)12-17(24)25)22-19(26)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,26)(H,24,25)
InChIKeyFVNWDOQIXHHZJC-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.26
Rot. Bonds6

About 2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid

2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid (PubChem CID 10293083) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
PubChem CID10293083
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
SMILESCOc1ccc(-c2ncc(NC(=O)c3ccccc3)c(=O)n2CC(=O)O)cc1
InChIInChI=1S/C20H17N3O5/c1-28-15-9-7-13(8-10-15)18-21-11-16(20(27)23(18)12-17(24)25)22-19(26)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,26)(H,24,25)
InChIKeyFVNWDOQIXHHZJC-UHFFFAOYSA-N
XLogP2.26
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656
2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10199998
2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 175993533
2-[5-benzamido-2-(3-bromophenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10159611
ethyl 5-benzamido-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-2-carboxylate
CID 102333626
2-[5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 91284759
2-[2-(4-chlorophenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid
CID 10093188
2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 18366637
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096852
2-[2-[4-(tert-butylsulfamoylmethoxy)phenyl]-6-oxo-5-(3-phenylpropylamino)pyrimidin-1-yl]acetic acid
CID 170789832
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
CID 20896233
3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 44783251

Frequently Asked Questions

What is the IUPAC name of 2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid (CID 10293083) is 2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid is COc1ccc(-c2ncc(NC(=O)c3ccccc3)c(=O)n2CC(=O)O)cc1.
What is the InChIKey of 2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid?
The InChIKey is FVNWDOQIXHHZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-28-15-9-7-13(8-10-15)18-21-11-16(20(27)23(18)12-17(24)25)22-19(26)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid?
2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid has a molecular weight of 379.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid is sourced from PubChem (CID 10293083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).