2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid

C8H9FN2O4 — CID 81297790

IUPAC2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCOc1nc(C)cc(=O)n1C(F)C(=O)O
InChIInChI=1S/C8H9FN2O4/c1-4-3-5(12)11(6(9)7(13)14)8(10-4)15-2/h3,6H,1-2H3,(H,13,14)
InChIKeyOPOXRHYJUDTULX-UHFFFAOYSA-N
MW216.17 g/mol
LogP0.11
Rot. Bonds3

About 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid

2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid (PubChem CID 81297790) has the molecular formula C8H9FN2O4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid
PubChem CID81297790
Molecular FormulaC8H9FN2O4
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Name2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCOc1nc(C)cc(=O)n1C(F)C(=O)O
InChIInChI=1S/C8H9FN2O4/c1-4-3-5(12)11(6(9)7(13)14)8(10-4)15-2/h3,6H,1-2H3,(H,13,14)
InChIKeyOPOXRHYJUDTULX-UHFFFAOYSA-N
XLogP0.11
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-(diethylamino)-4-methyl-6-oxo-1(6H)-pyrimidinyl)acetic acid
CID 11010049
(4-methyl-6-oxopyrimidin-1(6{H})-yl)acetic acid
CID 33676025
2-Fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid
CID 81297302
Ethyl 2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetate
CID 81297477
2-(2,4-Dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetic acid
CID 81297619
Ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81297776
Ethyl 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetate
CID 81297791
2-(6-Oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetic acid
CID 97628318
2-(2-Methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetic acid
CID 97628336
2-(4-(difluoromethyl)-6-oxopyrimidin-1(6H)-yl)acetic acid
CID 121205741
Methyl 2-(6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetate
CID 139026971
2-(5-Fluoro-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)acetic acid
CID 168018691

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid (CID 81297790) is 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid is COc1nc(C)cc(=O)n1C(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid?
The InChIKey is OPOXRHYJUDTULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4/c1-4-3-5(12)11(6(9)7(13)14)8(10-4)15-2/h3,6H,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid?
2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid has a molecular weight of 216.17 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 81297790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).