2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid

C15H17N3O3 — CID 136958764

IUPAC2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid
SMILESCCc1nc(NC(C)(C(=O)O)c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C15H17N3O3/c1-3-11-16-12(9-13(19)17-11)18-15(2,14(20)21)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,20,21)(H2,16,17,18,19)
InChIKeyUCGJNCMUEQSEDN-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.74
Rot. Bonds5

About 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid

2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid (PubChem CID 136958764) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid
PubChem CID136958764
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid
SMILESCCc1nc(NC(C)(C(=O)O)c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C15H17N3O3/c1-3-11-16-12(9-13(19)17-11)18-15(2,14(20)21)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,20,21)(H2,16,17,18,19)
InChIKeyUCGJNCMUEQSEDN-UHFFFAOYSA-N
XLogP1.74
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid (CID 136958764) is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid is CCc1nc(NC(C)(C(=O)O)c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid?
The InChIKey is UCGJNCMUEQSEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-11-16-12(9-13(19)17-11)18-15(2,14(20)21)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid?
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 136958764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).