2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid

C12H11N3O2 — CID 123695690

IUPAC2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid
SMILESNc1ncc(CC(=O)O)c(-c2ccccc2)n1
InChIInChI=1S/C12H11N3O2/c13-12-14-7-9(6-10(16)17)11(15-12)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,17)(H2,13,14,15)
InChIKeyZEJINETUEIJZKF-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.35
Rot. Bonds3

About 2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid

2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid (PubChem CID 123695690) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid
PubChem CID123695690
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid
SMILESNc1ncc(CC(=O)O)c(-c2ccccc2)n1
InChIInChI=1S/C12H11N3O2/c13-12-14-7-9(6-10(16)17)11(15-12)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,17)(H2,13,14,15)
InChIKeyZEJINETUEIJZKF-UHFFFAOYSA-N
XLogP1.35
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenylpyrimidine-2,5-diamine
CID 89253384
1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone
CID 15851436
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
4-chloro-5-phenylpyrimidin-2-amine
CID 89417218
2-(4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 28948458
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid
CID 68852154
2-(5-phenylpyrimidin-2-yl)acetic acid
CID 83917086
(2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146044137
2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid
CID 105488937
5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine
CID 90945303
2-amino-4-(4-chlorophenyl)pyrimidine-5-carboxylic acid
CID 75488589
(2-amino-4-phenylpyrimidin-5-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 95869933

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid (CID 123695690) is 2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid is Nc1ncc(CC(=O)O)c(-c2ccccc2)n1.
What is the InChIKey of 2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid?
The InChIKey is ZEJINETUEIJZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-12-14-7-9(6-10(16)17)11(15-12)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,17)(H2,13,14,15).
What are the key properties of 2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid?
2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid has a molecular weight of 229.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid is sourced from PubChem (CID 123695690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).