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

C9H9F4N3O2 — CID 106295667

IUPAC6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H9F4N3O2/c1-4-2-5(6(17)18)16-8(15-4)14-3-9(12,13)7(10)11/h2,7H,3H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyXMNHEMLMARMZMO-UHFFFAOYSA-N
MW267.18 g/mol
LogP1.80
Rot. Bonds5

About 6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid

6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid (PubChem CID 106295667) has the molecular formula C9H9F4N3O2 and a molecular weight of 267.18 g/mol. Its IUPAC name is 6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
PubChem CID106295667
Molecular FormulaC9H9F4N3O2
Molecular Weight267.18 g/mol
Exact Mass267.06
IUPAC Name6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H9F4N3O2/c1-4-2-5(6(17)18)16-8(15-4)14-3-9(12,13)7(10)11/h2,7H,3H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyXMNHEMLMARMZMO-UHFFFAOYSA-N
XLogP1.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
CID 106295661
6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid
CID 106197907
6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid
CID 107554495
2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554311
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554108
4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid
CID 106293362
2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid
CID 106296014
6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553402
6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553849
2-[(5-hydroxy-4-methylpentyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 106162734
2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553220
2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554351

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid (CID 106295667) is 6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(NCC(F)(F)C(F)F)n1.
What is the InChIKey of 6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid?
The InChIKey is XMNHEMLMARMZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N3O2/c1-4-2-5(6(17)18)16-8(15-4)14-3-9(12,13)7(10)11/h2,7H,3H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid?
6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid has a molecular weight of 267.18 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 106295667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).