3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid

C15H17N3O2 — CID 62876566

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
SMILESCc1cc(C)nc(NCC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-10-8-11(2)18-15(17-10)16-9-13(14(19)20)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyRQWGPHYPIXSSAQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.37
Rot. Bonds5

About 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid

3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid (PubChem CID 62876566) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
PubChem CID62876566
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
SMILESCc1cc(C)nc(NCC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-10-8-11(2)18-15(17-10)16-9-13(14(19)20)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyRQWGPHYPIXSSAQ-UHFFFAOYSA-N
XLogP2.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62960699
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108618
2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid
CID 65226929
3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid
CID 114474409
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
3-(5-chloro-2-methylanilino)-2-phenylpropanoic acid
CID 64566430
3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62884347
3-(2-ethylanilino)-2-phenylpropanoic acid
CID 64566858
(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]butanoylamino]-2-phenylacetic acid
CID 108808824
3-(4-ethylanilino)-2-phenylpropanoic acid
CID 64566244

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid (CID 62876566) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid is Cc1cc(C)nc(NCC(C(=O)O)c2ccccc2)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid?
The InChIKey is RQWGPHYPIXSSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-8-11(2)18-15(17-10)16-9-13(14(19)20)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid?
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62876566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).