5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid

C24H26N2O3 — CID 67793422

IUPAC5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid
SMILESCCCCc1nc(C)nc(CO)c1Cc1ccc(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C24H26N2O3/c1-3-4-10-22-21(23(15-27)26-16(2)25-22)14-17-11-12-19(20(13-17)24(28)29)18-8-6-5-7-9-18/h5-9,11-13,27H,3-4,10,14-15H2,1-2H3,(H,28,29)
InChIKeyUUEADJZDTYMWSL-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.58
Rot. Bonds8

About 5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid

5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid (PubChem CID 67793422) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid.

Molecular Properties

Compound Name5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid
PubChem CID67793422
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid
SMILESCCCCc1nc(C)nc(CO)c1Cc1ccc(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C24H26N2O3/c1-3-4-10-22-21(23(15-27)26-16(2)25-22)14-17-11-12-19(20(13-17)24(28)29)18-8-6-5-7-9-18/h5-9,11-13,27H,3-4,10,14-15H2,1-2H3,(H,28,29)
InChIKeyUUEADJZDTYMWSL-UHFFFAOYSA-N
XLogP4.58
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-butyl-2,7-dioxo-1,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)methyl]-2-phenylbenzoic acid
CID 67793675
2-[4-[(2,4-dibutyl-6-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid
CID 135892621
2-[4-[(4-butyl-2-ethyl-6-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid
CID 135481874
2-[4-[[3-butyl-5-(hydroxymethyl)-1-methylpyrazol-4-yl]methyl]phenyl]benzoic acid
CID 67939623
2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzoic acid
CID 10815565
2-butyl-3-methyl-4-phenylbenzoic acid
CID 175125661
2-[6-butyl-2-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-yl]oxyacetic acid
CID 154323592
N-[6-butyl-2-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-yl]acetamide
CID 154289946
2-[4-[[2-butyl-5-(carboxymethyl)-6-[[4-(2-carboxyphenyl)phenyl]methyl]pyrimidin-4-yl]methyl]phenyl]benzoic acid
CID 19001352
5-[[2-butyl-4-[hydroxy(phenyl)methyl]imidazol-1-yl]methyl]-2-phenylbenzoic acid
CID 174358857
4-butyl-2-methyl-6-methylsulfonyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine
CID 154148882
5-[[2-butyl-4-[hydroxy(phenyl)methyl]imidazol-1-yl]methyl]-2-phenylbenzoic acid;hydrochloride
CID 174358856

Frequently Asked Questions

What is the IUPAC name of 5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid?
The IUPAC name of 5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid (CID 67793422) is 5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid.
What is the SMILES notation for 5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid?
The canonical SMILES for 5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid is CCCCc1nc(C)nc(CO)c1Cc1ccc(-c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid?
The InChIKey is UUEADJZDTYMWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-4-10-22-21(23(15-27)26-16(2)25-22)14-17-11-12-19(20(13-17)24(28)29)18-8-6-5-7-9-18/h5-9,11-13,27H,3-4,10,14-15H2,1-2H3,(H,28,29).
What are the key properties of 5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid?
5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid has a molecular weight of 390.48 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzoic acid is sourced from PubChem (CID 67793422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).