4-(trifluoromethyl)pyrimidine-5-carboxamide

C6H4F3N3O — CID 140802869

IUPAC4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1C(F)(F)F
InChIInChI=1S/C6H4F3N3O/c7-6(8,9)4-3(5(10)13)1-11-2-12-4/h1-2H,(H2,10,13)
InChIKeyPEELANQFQNBMKM-UHFFFAOYSA-N
MW191.11 g/mol
LogP0.59
Rot. Bonds1

About 4-(trifluoromethyl)pyrimidine-5-carboxamide

4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 140802869) has the molecular formula C6H4F3N3O and a molecular weight of 191.11 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID140802869
Molecular FormulaC6H4F3N3O
Molecular Weight191.11 g/mol
Exact Mass191.03
IUPAC Name4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1C(F)(F)F
InChIInChI=1S/C6H4F3N3O/c7-6(8,9)4-3(5(10)13)1-11-2-12-4/h1-2H,(H2,10,13)
InChIKeyPEELANQFQNBMKM-UHFFFAOYSA-N
XLogP0.59
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 140802869) is 4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(trifluoromethyl)pyrimidine-5-carboxamide is NC(=O)c1cncnc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is PEELANQFQNBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O/c7-6(8,9)4-3(5(10)13)1-11-2-12-4/h1-2H,(H2,10,13).
What are the key properties of 4-(trifluoromethyl)pyrimidine-5-carboxamide?
4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 191.11 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 140802869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).