2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde

C6H4F3N3O — CID 174290412

IUPAC2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde
SMILESNc1nc(C=O)cc(C(F)(F)F)n1
InChIInChI=1S/C6H4F3N3O/c7-6(8,9)4-1-3(2-13)11-5(10)12-4/h1-2H,(H2,10,11,12)
InChIKeyNABFVIFGZYKQBB-UHFFFAOYSA-N
MW191.11 g/mol
LogP0.89
Rot. Bonds1

About 2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde

2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde (PubChem CID 174290412) has the molecular formula C6H4F3N3O and a molecular weight of 191.11 g/mol. Its IUPAC name is 2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde
PubChem CID174290412
Molecular FormulaC6H4F3N3O
Molecular Weight191.11 g/mol
Exact Mass191.03
IUPAC Name2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde
SMILESNc1nc(C=O)cc(C(F)(F)F)n1
InChIInChI=1S/C6H4F3N3O/c7-6(8,9)4-1-3(2-13)11-5(10)12-4/h1-2H,(H2,10,11,12)
InChIKeyNABFVIFGZYKQBB-UHFFFAOYSA-N
XLogP0.89
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 22185217
CID 22185217
CID 22185220
CID 22185220
CID 62742277
CID 62742277
CID 138756293
CID 138756293
CID 138991399
CID 138991399
CID 12355083
CID 12355083
CID 55262731
CID 55262731
CID 86067340
CID 86067340
CID 90880210
CID 90880210
CID 91163579
CID 91163579
CID 91216586
CID 91216586
CID 91226965
CID 91226965

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The IUPAC name of 2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde (CID 174290412) is 2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde is Nc1nc(C=O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The InChIKey is NABFVIFGZYKQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O/c7-6(8,9)4-1-3(2-13)11-5(10)12-4/h1-2H,(H2,10,11,12).
What are the key properties of 2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde?
2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde has a molecular weight of 191.11 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(trifluoromethyl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 174290412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).