5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid

C18H14N2O3 — CID 135012181

IUPAC5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H14N2O3/c1-23-16-14(12-8-4-2-5-9-12)19-17(20-15(16)18(21)22)13-10-6-3-7-11-13/h2-11H,1H3,(H,21,22)
InChIKeyPRWZHBXQYSWVCW-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.52
Rot. Bonds4

About 5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid

5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid (PubChem CID 135012181) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid
PubChem CID135012181
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H14N2O3/c1-23-16-14(12-8-4-2-5-9-12)19-17(20-15(16)18(21)22)13-10-6-3-7-11-13/h2-11H,1H3,(H,21,22)
InChIKeyPRWZHBXQYSWVCW-UHFFFAOYSA-N
XLogP3.52
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid
CID 70132617
1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone
CID 138970267
3,4-dimethoxyisoquinoline-1-carboxylic acid
CID 91217863
methyl (Z)-3-hydroxy-2-(2-phenylquinazolin-4-yl)but-2-enoate
CID 135818399
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
CID 12782476
diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid
CID 70132616
2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
4-methyl-3-[[4-(4-phenylquinazolin-2-yl)benzoyl]amino]benzoic acid
CID 174610265
N-[4-(4-phenylquinazolin-2-yl)phenyl]acetamide
CID 4523406
(6,7-dimethoxy-3-phenylquinoxalin-2-yl)-phenylmethanone
CID 91474322

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid (CID 135012181) is 5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid is COc1c(C(=O)O)nc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid?
The InChIKey is PRWZHBXQYSWVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-23-16-14(12-8-4-2-5-9-12)19-17(20-15(16)18(21)22)13-10-6-3-7-11-13/h2-11H,1H3,(H,21,22).
What are the key properties of 5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid?
5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 135012181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).