2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid

C10H12FN3O2 — CID 167956665

IUPAC2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid
SMILESCC(C)=C(F)CNc1nccc(C(=O)O)n1
InChIInChI=1S/C10H12FN3O2/c1-6(2)7(11)5-13-10-12-4-3-8(14-10)9(15)16/h3-4H,5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyCNYSAPUEJUFCFI-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.85
Rot. Bonds4

About 2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid

2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid (PubChem CID 167956665) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid
PubChem CID167956665
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid
SMILESCC(C)=C(F)CNc1nccc(C(=O)O)n1
InChIInChI=1S/C10H12FN3O2/c1-6(2)7(11)5-13-10-12-4-3-8(14-10)9(15)16/h3-4H,5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyCNYSAPUEJUFCFI-UHFFFAOYSA-N
XLogP1.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
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CID 107554398
2-(2-ethylsulfinylethylamino)pyrimidine-4-carboxylic acid
CID 107554425
2-[3-(methanesulfonamido)propylamino]pyrimidine-4-carboxylic acid
CID 106342754
2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
CID 106295661
2-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553513
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid
CID 107554298
2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553189
2-(3-butoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554394
2-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-4-carboxylic acid
CID 107553989
2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554293

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid (CID 167956665) is 2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid is CC(C)=C(F)CNc1nccc(C(=O)O)n1.
What is the InChIKey of 2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid?
The InChIKey is CNYSAPUEJUFCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-6(2)7(11)5-13-10-12-4-3-8(14-10)9(15)16/h3-4H,5H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid?
2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 167956665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).