2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde

C10H12F3N3O — CID 83900185

IUPAC2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
SMILESCCN(CC)c1ncc(C=O)c(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-3-16(4-2)9-14-5-7(6-17)8(15-9)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyHLDJQLKJVNZYCM-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.15
Rot. Bonds4

About 2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde

2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde (PubChem CID 83900185) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
PubChem CID83900185
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
SMILESCCN(CC)c1ncc(C=O)c(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-3-16(4-2)9-14-5-7(6-17)8(15-9)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyHLDJQLKJVNZYCM-UHFFFAOYSA-N
XLogP2.15
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 2736708
4-Methylpyrimidine-5-carbaldehyde
CID 20285334
2,4-Dimethylpyrimidine-5-carbaldehyde
CID 23398557
5-Methylpyrimidine-4-carbaldehyde
CID 28951081
2-(Dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 10609785
Ethyl 2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 10777931
2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid butylamide
CID 10850430
2-Amino-4-methylpyrimidine-5-carboxamide
CID 18986589
4-Methyl-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
CID 12792810
4-(Trifluoromethyl)pyrimidine-5-carboxamide
CID 140802869
2,2,2-Trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]ethanone
CID 15783751
5-Carbamoyl-2-amino-4-(trifluoromethyl)pyrimidine
CID 129947223

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde (CID 83900185) is 2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde is CCN(CC)c1ncc(C=O)c(C(F)(F)F)n1.
What is the InChIKey of 2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde?
The InChIKey is HLDJQLKJVNZYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-3-16(4-2)9-14-5-7(6-17)8(15-9)10(11,12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde?
2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde has a molecular weight of 247.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-(trifluoromethyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 83900185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).