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

C7H7FN2O3 — CID 81297302

IUPAC2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCc1cc(=O)n(C(F)C(=O)O)cn1
InChIInChI=1S/C7H7FN2O3/c1-4-2-5(11)10(3-9-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13)
InChIKeySQLRHVRWMWNHCQ-UHFFFAOYSA-N
MW186.14 g/mol
LogP0.10
Rot. Bonds2

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

2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid (PubChem CID 81297302) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid
PubChem CID81297302
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCc1cc(=O)n(C(F)C(=O)O)cn1
InChIInChI=1S/C7H7FN2O3/c1-4-2-5(11)10(3-9-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13)
InChIKeySQLRHVRWMWNHCQ-UHFFFAOYSA-N
XLogP0.10
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-isopropyl-6-oxopyrimidin-1(6{H})-yl)acetic acid
CID 33676029
(2-Amino-4-methyl-6-oxo-6H-pyrimidin-1-yl)acetic acid
CID 6424520
(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
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
2-Fluoro-2-(6-oxopyrimidin-1-yl)acetic acid
CID 81297777
2-Fluoro-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetic acid
CID 81297790
2-(5-Bromo-4-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetic acid
CID 81298031
2-Fluoro-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetic acid
CID 81298421
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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid (CID 81297302) is 2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid is Cc1cc(=O)n(C(F)C(=O)O)cn1.
What is the InChIKey of 2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid?
The InChIKey is SQLRHVRWMWNHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c1-4-2-5(11)10(3-9-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13).
What are the key properties of 2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid?
2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid has a molecular weight of 186.14 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-methyl-6-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 81297302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).