2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid

C15H17N3O3 — CID 122060540

IUPAC2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1nccc(Oc2ccccc2)n1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-6-12(14(19)20)17-15-16-10-9-13(18-15)21-11-7-4-3-5-8-11/h3-5,7-10,12H,2,6H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyGQNZVQAPAUYQIB-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.93
Rot. Bonds7

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

2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid (PubChem CID 122060540) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid
PubChem CID122060540
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1nccc(Oc2ccccc2)n1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-6-12(14(19)20)17-15-16-10-9-13(18-15)21-11-7-4-3-5-8-11/h3-5,7-10,12H,2,6H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyGQNZVQAPAUYQIB-UHFFFAOYSA-N
XLogP2.93
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-phenoxypyrimidin-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

2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985
2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid
CID 135088959
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796
3-methoxy-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636213
(2S)-2-[(4-tert-butylpyrimidin-2-yl)amino]hexanoic acid
CID 122062726
(2S)-2-anilinopentanoic acid
CID 22847649
2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide
CID 75433246
2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide
CID 133416657
(2S)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174375050
methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
CID 112638932
2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid
CID 122060479

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid (CID 122060540) is 2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid is CCCC(Nc1nccc(Oc2ccccc2)n1)C(=O)O.
What is the InChIKey of 2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is GQNZVQAPAUYQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-6-12(14(19)20)17-15-16-10-9-13(18-15)21-11-7-4-3-5-8-11/h3-5,7-10,12H,2,6H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid?
2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 122060540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).