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

C12H11N3O3 — CID 136958731

IUPAC2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid
SMILESO=C(O)C(Nc1cc(=O)[nH]cn1)c1ccccc1
InChIInChI=1S/C12H11N3O3/c16-10-6-9(13-7-14-10)15-11(12(17)18)8-4-2-1-3-5-8/h1-7,11H,(H,17,18)(H2,13,14,15,16)
InChIKeyGCUDSBQZCKAMRO-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.01
Rot. Bonds4

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

2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid (PubChem CID 136958731) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid
PubChem CID136958731
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid
SMILESO=C(O)C(Nc1cc(=O)[nH]cn1)c1ccccc1
InChIInChI=1S/C12H11N3O3/c16-10-6-9(13-7-14-10)15-11(12(17)18)8-4-2-1-3-5-8/h1-7,11H,(H,17,18)(H2,13,14,15,16)
InChIKeyGCUDSBQZCKAMRO-UHFFFAOYSA-N
XLogP1.01
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanedioic acid
CID 136959396
2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
CID 62108953
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-[(5-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid
CID 62110982
3-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959349
5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid
CID 137015828
ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956412
2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid
CID 103256803
4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 137016530
4-(2-bromoprop-2-enylamino)-1H-pyrimidin-6-one
CID 136976981
2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid
CID 103236812
methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62109290

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid (CID 136958731) is 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid is O=C(O)C(Nc1cc(=O)[nH]cn1)c1ccccc1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid?
The InChIKey is GCUDSBQZCKAMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-10-6-9(13-7-14-10)15-11(12(17)18)8-4-2-1-3-5-8/h1-7,11H,(H,17,18)(H2,13,14,15,16).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid?
2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid has a molecular weight of 245.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylacetic acid is sourced from PubChem (CID 136958731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).