2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid

C7H8F3N3O3 — CID 135314210

IUPAC2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)N1C=CC=NC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H7N3O.C2HF3O2/c6-5(9)8-3-1-2-7-4-8;3-2(4,5)1(6)7/h1-3H,4H2,(H2,6,9);(H,6,7)
InChIKeyBLZQRVJOAUEYOP-UHFFFAOYSA-N
MW239.15 g/mol
LogP0.56
Rot. Bonds

About 2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid

2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 135314210) has the molecular formula C7H8F3N3O3 and a molecular weight of 239.15 g/mol. Its IUPAC name is 2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID135314210
Molecular FormulaC7H8F3N3O3
Molecular Weight239.15 g/mol
Exact Mass239.05
IUPAC Name2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)N1C=CC=NC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H7N3O.C2HF3O2/c6-5(9)8-3-1-2-7-4-8;3-2(4,5)1(6)7/h1-3H,4H2,(H2,6,9);(H,6,7)
InChIKeyBLZQRVJOAUEYOP-UHFFFAOYSA-N
XLogP0.56
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrimidin-2-one;2,2,2-trifluoroacetic acid
CID 69498359
6-amino-1H-pyrimidin-2-one;2,2,2-trifluoroacetic acid
CID 70576764
2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 162322225
2H-pyrimidin-1-amine;2,2,2-trifluoroacetic acid
CID 172855108
2H-pyrimidine-1-carbaldehyde;2,2,2-trifluoroacetic acid
CID 174663638
2,2-Difluoropyrimidine-1-carboxylic acid;hydrochloride
CID 174866533
2H-pyrimidine-1-carbonitrile;2,2,2-trifluoroacetic acid
CID 175863815
1-(2-Aminoethyl)pyrimidin-2-one;2,2,2-trifluoroacetic acid
CID 53469112
2,2-Difluoropyrimidine-1-carboxylic acid
CID 174866534

Frequently Asked Questions

What is the IUPAC name of 2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 135314210) is 2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)N1C=CC=NC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BLZQRVJOAUEYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C2HF3O2/c6-5(9)8-3-1-2-7-4-8;3-2(4,5)1(6)7/h1-3H,4H2,(H2,6,9);(H,6,7).
What are the key properties of 2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid?
2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 239.15 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135314210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).