2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid

C21H19N3O4 — CID 177377319

IUPAC2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid
SMILESCc1nc(Cc2ccccc2-c2ccccc2)nc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C21H19N3O4/c1-13-20(27)19(21(28)22-12-18(25)26)24-17(23-13)11-15-9-5-6-10-16(15)14-7-3-2-4-8-14/h2-10,27H,11-12H2,1H3,(H,22,28)(H,25,26)
InChIKeyIEWULXUACBQAOC-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.56
Rot. Bonds6

About 2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid

2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid (PubChem CID 177377319) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid
PubChem CID177377319
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid
SMILESCc1nc(Cc2ccccc2-c2ccccc2)nc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C21H19N3O4/c1-13-20(27)19(21(28)22-12-18(25)26)24-17(23-13)11-15-9-5-6-10-16(15)14-7-3-2-4-8-14/h2-10,27H,11-12H2,1H3,(H,22,28)(H,25,26)
InChIKeyIEWULXUACBQAOC-UHFFFAOYSA-N
XLogP2.56
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid (CID 177377319) is 2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid is Cc1nc(Cc2ccccc2-c2ccccc2)nc(C(=O)NCC(=O)O)c1O.
What is the InChIKey of 2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid?
The InChIKey is IEWULXUACBQAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13-20(27)19(21(28)22-12-18(25)26)24-17(23-13)11-15-9-5-6-10-16(15)14-7-3-2-4-8-14/h2-10,27H,11-12H2,1H3,(H,22,28)(H,25,26).
What are the key properties of 2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid?
2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid has a molecular weight of 377.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-hydroxy-6-methyl-2-[(2-phenylphenyl)methyl]pyrimidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 177377319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).