2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid

C14H15N3O3 — CID 54850447

IUPAC2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
SMILESCC(C)Oc1cccc(-c2cc(C(=O)O)nc(N)n2)c1
InChIInChI=1S/C14H15N3O3/c1-8(2)20-10-5-3-4-9(6-10)11-7-12(13(18)19)17-14(15)16-11/h3-8H,1-2H3,(H,18,19)(H2,15,16,17)
InChIKeyYIQZDCKEHCBNCA-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.21
Rot. Bonds4

About 2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid

2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid (PubChem CID 54850447) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
PubChem CID54850447
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
SMILESCC(C)Oc1cccc(-c2cc(C(=O)O)nc(N)n2)c1
InChIInChI=1S/C14H15N3O3/c1-8(2)20-10-5-3-4-9(6-10)11-7-12(13(18)19)17-14(15)16-11/h3-8H,1-2H3,(H,18,19)(H2,15,16,17)
InChIKeyYIQZDCKEHCBNCA-UHFFFAOYSA-N
XLogP2.21
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-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

2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 54850290
2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid
CID 28799538
4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 83240232
2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 121457656
2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 28799560
ethyl 2-amino-6-(3-hexoxyphenyl)pyrimidine-4-carboxylate
CID 54850308
2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82444253
2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxylic acid
CID 71520700
[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] morpholine-4-carboxylate
CID 127036830
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid
CID 82049589
2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid (CID 54850447) is 2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid is CC(C)Oc1cccc(-c2cc(C(=O)O)nc(N)n2)c1.
What is the InChIKey of 2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is YIQZDCKEHCBNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8(2)20-10-5-3-4-9(6-10)11-7-12(13(18)19)17-14(15)16-11/h3-8H,1-2H3,(H,18,19)(H2,15,16,17).
What are the key properties of 2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid?
2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 54850447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).