2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid

C8H7F4N3O2 — CID 106295661

IUPAC2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C8H7F4N3O2/c9-6(10)8(11,12)3-14-7-13-2-1-4(15-7)5(16)17/h1-2,6H,3H2,(H,16,17)(H,13,14,15)
InChIKeyDLBNJTRUMWPHOM-UHFFFAOYSA-N
MW253.15 g/mol
LogP1.49
Rot. Bonds5

About 2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid

2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid (PubChem CID 106295661) has the molecular formula C8H7F4N3O2 and a molecular weight of 253.15 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
PubChem CID106295661
Molecular FormulaC8H7F4N3O2
Molecular Weight253.15 g/mol
Exact Mass253.05
IUPAC Name2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C8H7F4N3O2/c9-6(10)8(11,12)3-14-7-13-2-1-4(15-7)5(16)17/h1-2,6H,3H2,(H,16,17)(H,13,14,15)
InChIKeyDLBNJTRUMWPHOM-UHFFFAOYSA-N
XLogP1.49
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
CID 106295667
2-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 106296048
2-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-4-carboxylic acid
CID 107553989
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid
CID 106296014
2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid
CID 167956665
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid
CID 107554215
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyrimidine-4-carboxylic acid
CID 107854803
4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid
CID 106293362
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553513
2-(2-methylsulfinylpropylamino)pyrimidine-4-carboxylic acid
CID 107554398

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid (CID 106295661) is 2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(NCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid?
The InChIKey is DLBNJTRUMWPHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N3O2/c9-6(10)8(11,12)3-14-7-13-2-1-4(15-7)5(16)17/h1-2,6H,3H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid?
2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid has a molecular weight of 253.15 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 106295661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).