2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid

C7H8FN3O3 — CID 135721713

IUPAC2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
SMILESCc1c(F)nc(NCC(=O)O)[nH]c1=O
InChIInChI=1S/C7H8FN3O3/c1-3-5(8)10-7(11-6(3)14)9-2-4(12)13/h2H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyGZRBRLJIOWJLEP-UHFFFAOYSA-N
MW201.16 g/mol
LogP-0.29
Rot. Bonds3

About 2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid

2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid (PubChem CID 135721713) has the molecular formula C7H8FN3O3 and a molecular weight of 201.16 g/mol. Its IUPAC name is 2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
PubChem CID135721713
Molecular FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
Exact Mass201.05
IUPAC Name2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
SMILESCc1c(F)nc(NCC(=O)O)[nH]c1=O
InChIInChI=1S/C7H8FN3O3/c1-3-5(8)10-7(11-6(3)14)9-2-4(12)13/h2H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyGZRBRLJIOWJLEP-UHFFFAOYSA-N
XLogP-0.29
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid (CID 135721713) is 2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid is Cc1c(F)nc(NCC(=O)O)[nH]c1=O.
What is the InChIKey of 2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid?
The InChIKey is GZRBRLJIOWJLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3/c1-3-5(8)10-7(11-6(3)14)9-2-4(12)13/h2H2,1H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid?
2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid has a molecular weight of 201.16 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 135721713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).