4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide

C7H7F3N4O — CID 150841821

IUPAC4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide
SMILESCNc1nc(C(N)=O)ncc1C(F)(F)F
InChIInChI=1S/C7H7F3N4O/c1-12-5-3(7(8,9)10)2-13-6(14-5)4(11)15/h2H,1H3,(H2,11,15)(H,12,13,14)
InChIKeyKODMWRKJDURVDW-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.64
Rot. Bonds2

About 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide

4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide (PubChem CID 150841821) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide
PubChem CID150841821
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC Name4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide
SMILESCNc1nc(C(N)=O)ncc1C(F)(F)F
InChIInChI=1S/C7H7F3N4O/c1-12-5-3(7(8,9)10)2-13-6(14-5)4(11)15/h2H,1H3,(H2,11,15)(H,12,13,14)
InChIKeyKODMWRKJDURVDW-UHFFFAOYSA-N
XLogP0.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide?
The IUPAC name of 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide (CID 150841821) is 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide is CNc1nc(C(N)=O)ncc1C(F)(F)F.
What is the InChIKey of 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide?
The InChIKey is KODMWRKJDURVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c1-12-5-3(7(8,9)10)2-13-6(14-5)4(11)15/h2H,1H3,(H2,11,15)(H,12,13,14).
What are the key properties of 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide?
4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 150841821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).