2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid

C15H16N2O3 — CID 62716397

IUPAC2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)c1nc(COc2ccccc2)ncc1C(=O)O
InChIInChI=1S/C15H16N2O3/c1-10(2)14-12(15(18)19)8-16-13(17-14)9-20-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyLOAOKSBEJOKEAI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.88
Rot. Bonds5

About 2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid

2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid (PubChem CID 62716397) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
PubChem CID62716397
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)c1nc(COc2ccccc2)ncc1C(=O)O
InChIInChI=1S/C15H16N2O3/c1-10(2)14-12(15(18)19)8-16-13(17-14)9-20-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyLOAOKSBEJOKEAI-UHFFFAOYSA-N
XLogP2.88
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic 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

1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanone
CID 62771886
2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 53214743
2-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 62902963
2-[(4-tert-butylphenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 99976947
(1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine
CID 103431680
2-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 63038444
4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid
CID 83181490
2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82434092
2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 91888334
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 115415698
2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 116728160
4-(phenoxymethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226748

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid (CID 62716397) is 2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid is CC(C)c1nc(COc2ccccc2)ncc1C(=O)O.
What is the InChIKey of 2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is LOAOKSBEJOKEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(2)14-12(15(18)19)8-16-13(17-14)9-20-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 62716397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).