4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid

C27H24N2O3 — CID 151058950

IUPAC4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid
SMILESCCOc1ccccc1-c1nc(-c2ccccc2C)nc(-c2ccccc2C)c1C(=O)O
InChIInChI=1S/C27H24N2O3/c1-4-32-22-16-10-9-15-21(22)25-23(27(30)31)24(19-13-7-5-11-17(19)2)28-26(29-25)20-14-8-6-12-18(20)3/h5-16H,4H2,1-3H3,(H,30,31)
InChIKeyMFTBSBSMGGBITL-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.19
Rot. Bonds6

About 4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid

4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid (PubChem CID 151058950) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid
PubChem CID151058950
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid
SMILESCCOc1ccccc1-c1nc(-c2ccccc2C)nc(-c2ccccc2C)c1C(=O)O
InChIInChI=1S/C27H24N2O3/c1-4-32-22-16-10-9-15-21(22)25-23(27(30)31)24(19-13-7-5-11-17(19)2)28-26(29-25)20-14-8-6-12-18(20)3/h5-16H,4H2,1-3H3,(H,30,31)
InChIKeyMFTBSBSMGGBITL-UHFFFAOYSA-N
XLogP6.19
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 54851455
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980399
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
CID 115534194
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
3-cyano-2-[4-(2-ethoxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 70327608
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072
3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
CID 54851501
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid (CID 151058950) is 4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid is CCOc1ccccc1-c1nc(-c2ccccc2C)nc(-c2ccccc2C)c1C(=O)O.
What is the InChIKey of 4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid?
The InChIKey is MFTBSBSMGGBITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-4-32-22-16-10-9-15-21(22)25-23(27(30)31)24(19-13-7-5-11-17(19)2)28-26(29-25)20-14-8-6-12-18(20)3/h5-16H,4H2,1-3H3,(H,30,31).
What are the key properties of 4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid?
4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid has a molecular weight of 424.50 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 151058950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).