4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide

C7H7F3N4O — CID 90839382

IUPAC4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1NCC(F)(F)F
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)2-13-6-4(5(11)15)1-12-3-14-6/h1,3H,2H2,(H2,11,15)(H,12,13,14)
InChIKeySBWKOCLNVVZXIF-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.55
Rot. Bonds3

About 4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide

4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide (PubChem CID 90839382) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide
PubChem CID90839382
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC Name4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1NCC(F)(F)F
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)2-13-6-4(5(11)15)1-12-3-14-6/h1,3H,2H2,(H2,11,15)(H,12,13,14)
InChIKeySBWKOCLNVVZXIF-UHFFFAOYSA-N
XLogP0.55
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide (CID 90839382) is 4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide is NC(=O)c1cncnc1NCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide?
The InChIKey is SBWKOCLNVVZXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c8-7(9,10)2-13-6-4(5(11)15)1-12-3-14-6/h1,3H,2H2,(H2,11,15)(H,12,13,14).
What are the key properties of 4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide?
4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 90839382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).