2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid

C15H16N2O3 — CID 115070018

IUPAC2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
SMILESCc1nc(Cc2cccc(O)c2)nc(C)c1CC(=O)O
InChIInChI=1S/C15H16N2O3/c1-9-13(8-15(19)20)10(2)17-14(16-9)7-11-4-3-5-12(18)6-11/h3-6,18H,7-8H2,1-2H3,(H,19,20)
InChIKeyIUOPTSIELAFNPI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.02
Rot. Bonds4

About 2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid

2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid (PubChem CID 115070018) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
PubChem CID115070018
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
SMILESCc1nc(Cc2cccc(O)c2)nc(C)c1CC(=O)O
InChIInChI=1S/C15H16N2O3/c1-9-13(8-15(19)20)10(2)17-14(16-9)7-11-4-3-5-12(18)6-11/h3-6,18H,7-8H2,1-2H3,(H,19,20)
InChIKeyIUOPTSIELAFNPI-UHFFFAOYSA-N
XLogP2.02
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 61373629
2-(4-benzyl-6-methyl-1,3,5-triazin-2-yl)acetic acid
CID 82477973
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid
CID 61269584
2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 137013046
1-[5-[(3-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078829
benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
CID 21468463
3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96609565
2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
CID 82294163
3-[[4-[3-[[4,6-bis(3-hydroxyanilino)-1,3,5-triazin-2-yl]methyl]anilino]-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]methyl]phenol
CID 159987030
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
2-(3-benzylphenyl)acetic acid
CID 22590987
2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 62746332

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid (CID 115070018) is 2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid is Cc1nc(Cc2cccc(O)c2)nc(C)c1CC(=O)O.
What is the InChIKey of 2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid?
The InChIKey is IUOPTSIELAFNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-13(8-15(19)20)10(2)17-14(16-9)7-11-4-3-5-12(18)6-11/h3-6,18H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid?
2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid is sourced from PubChem (CID 115070018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).