3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid

C12H19N3O3 — CID 112636245

IUPAC3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCOc1ccnc(NC(CC)CC(=O)O)n1
InChIInChI=1S/C12H19N3O3/c1-3-7-18-10-5-6-13-12(15-10)14-9(4-2)8-11(16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyQHAJIYZBYQEYAE-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.93
Rot. Bonds8

About 3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid

3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid (PubChem CID 112636245) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
PubChem CID112636245
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCOc1ccnc(NC(CC)CC(=O)O)n1
InChIInChI=1S/C12H19N3O3/c1-3-7-18-10-5-6-13-12(15-10)14-9(4-2)8-11(16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyQHAJIYZBYQEYAE-UHFFFAOYSA-N
XLogP1.93
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-propoxypyrimidin-2-yl)amino]pentanoic 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

3-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112636247
4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636105
N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637766
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141
methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
CID 112638932
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115974224
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine
CID 115975024
3-cyclopropyl-3-[(4-ethoxypyrimidin-2-yl)amino]propanoic acid
CID 112636256
2-methyl-5-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 104683082

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid (CID 112636245) is 3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid is CCCOc1ccnc(NC(CC)CC(=O)O)n1.
What is the InChIKey of 3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is QHAJIYZBYQEYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-7-18-10-5-6-13-12(15-10)14-9(4-2)8-11(16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid?
3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 112636245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).