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

C14H12FN3O4 — CID 177377318

IUPAC2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid
SMILESCc1nc(C(=O)NCC(=O)O)c(O)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FN3O4/c1-7-17-11(8-2-4-9(15)5-3-8)13(21)12(18-7)14(22)16-6-10(19)20/h2-5,21H,6H2,1H3,(H,16,22)(H,19,20)
InChIKeyCPEIVVVSIWFZBG-UHFFFAOYSA-N
MW305.27 g/mol
LogP1.11
Rot. Bonds4

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

2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid (PubChem CID 177377318) has the molecular formula C14H12FN3O4 and a molecular weight of 305.27 g/mol. Its IUPAC name is 2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid
PubChem CID177377318
Molecular FormulaC14H12FN3O4
Molecular Weight305.27 g/mol
Exact Mass305.08
IUPAC Name2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid
SMILESCc1nc(C(=O)NCC(=O)O)c(O)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FN3O4/c1-7-17-11(8-2-4-9(15)5-3-8)13(21)12(18-7)14(22)16-6-10(19)20/h2-5,21H,6H2,1H3,(H,16,22)(H,19,20)
InChIKeyCPEIVVVSIWFZBG-UHFFFAOYSA-N
XLogP1.11
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid (CID 177377318) is 2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid is Cc1nc(C(=O)NCC(=O)O)c(O)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid?
The InChIKey is CPEIVVVSIWFZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O4/c1-7-17-11(8-2-4-9(15)5-3-8)13(21)12(18-7)14(22)16-6-10(19)20/h2-5,21H,6H2,1H3,(H,16,22)(H,19,20).
What are the key properties of 2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid?
2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid has a molecular weight of 305.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluorophenyl)-5-hydroxy-2-methylpyrimidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 177377318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).