2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid

C15H14FN3O4 — CID 172675262

IUPAC2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid
SMILESCc1nc(Cc2ccc(F)cc2)c(O)c(C(=O)NCC(=O)O)n1
InChIInChI=1S/C15H14FN3O4/c1-8-18-11(6-9-2-4-10(16)5-3-9)14(22)13(19-8)15(23)17-7-12(20)21/h2-5,22H,6-7H2,1H3,(H,17,23)(H,20,21)
InChIKeyMNJZVYOQKXSJCJ-UHFFFAOYSA-N
MW319.29 g/mol
LogP1.03
Rot. Bonds5

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

2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid (PubChem CID 172675262) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid
PubChem CID172675262
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid
SMILESCc1nc(Cc2ccc(F)cc2)c(O)c(C(=O)NCC(=O)O)n1
InChIInChI=1S/C15H14FN3O4/c1-8-18-11(6-9-2-4-10(16)5-3-9)14(22)13(19-8)15(23)17-7-12(20)21/h2-5,22H,6-7H2,1H3,(H,17,23)(H,20,21)
InChIKeyMNJZVYOQKXSJCJ-UHFFFAOYSA-N
XLogP1.03
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-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-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid (CID 172675262) is 2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid is Cc1nc(Cc2ccc(F)cc2)c(O)c(C(=O)NCC(=O)O)n1.
What is the InChIKey of 2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid?
The InChIKey is MNJZVYOQKXSJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4/c1-8-18-11(6-9-2-4-10(16)5-3-9)14(22)13(19-8)15(23)17-7-12(20)21/h2-5,22H,6-7H2,1H3,(H,17,23)(H,20,21).
What are the key properties of 2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid?
2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid has a molecular weight of 319.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 172675262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).