2-(4-propoxypyrimidin-2-yl)acetic acid

C9H12N2O3 — CID 104571285

IUPAC2-(4-propoxypyrimidin-2-yl)acetic acid
SMILESCCCOc1ccnc(CC(=O)O)n1
InChIInChI=1S/C9H12N2O3/c1-2-5-14-8-3-4-10-7(11-8)6-9(12)13/h3-4H,2,5-6H2,1H3,(H,12,13)
InChIKeyGHVGGBJMHBOZHE-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.89
Rot. Bonds5

About 2-(4-propoxypyrimidin-2-yl)acetic acid

2-(4-propoxypyrimidin-2-yl)acetic acid (PubChem CID 104571285) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(4-propoxypyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-propoxypyrimidin-2-yl)acetic acid
PubChem CID104571285
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(4-propoxypyrimidin-2-yl)acetic acid
SMILESCCCOc1ccnc(CC(=O)O)n1
InChIInChI=1S/C9H12N2O3/c1-2-5-14-8-3-4-10-7(11-8)6-9(12)13/h3-4H,2,5-6H2,1H3,(H,12,13)
InChIKeyGHVGGBJMHBOZHE-UHFFFAOYSA-N
XLogP0.89
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-propoxypyrimidin-2-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-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126840670
4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636105
2-(2-propoxypyrimidin-4-yl)oxyethanol
CID 68639472
3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636245
2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid
CID 107424754
4-propoxypyrimidin-2-amine
CID 79002172
N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide
CID 167819458
3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid
CID 112635990
2-[4-(4-methylphenyl)pyrimidin-2-yl]acetic acid
CID 82391246
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115974224
2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid
CID 84661261

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxypyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(4-propoxypyrimidin-2-yl)acetic acid (CID 104571285) is 2-(4-propoxypyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-propoxypyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(4-propoxypyrimidin-2-yl)acetic acid is CCCOc1ccnc(CC(=O)O)n1.
What is the InChIKey of 2-(4-propoxypyrimidin-2-yl)acetic acid?
The InChIKey is GHVGGBJMHBOZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-5-14-8-3-4-10-7(11-8)6-9(12)13/h3-4H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 2-(4-propoxypyrimidin-2-yl)acetic acid?
2-(4-propoxypyrimidin-2-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxypyrimidin-2-yl)acetic acid is sourced from PubChem (CID 104571285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).