4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde

C11H11ClF3N3O — CID 80732759

IUPAC4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H11ClF3N3O/c1-6-16-9(12)8(4-19)10(17-6)18(7-2-3-7)5-11(13,14)15/h4,7H,2-3,5H2,1H3
InChIKeyJOEQMHRXKTUQPI-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.78
Rot. Bonds4

About 4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde

4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde (PubChem CID 80732759) has the molecular formula C11H11ClF3N3O and a molecular weight of 293.68 g/mol. Its IUPAC name is 4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde
PubChem CID80732759
Molecular FormulaC11H11ClF3N3O
Molecular Weight293.68 g/mol
Exact Mass293.05
IUPAC Name4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H11ClF3N3O/c1-6-16-9(12)8(4-19)10(17-6)18(7-2-3-7)5-11(13,14)15/h4,7H,2-3,5H2,1H3
InChIKeyJOEQMHRXKTUQPI-UHFFFAOYSA-N
XLogP2.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde (CID 80732759) is 4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is JOEQMHRXKTUQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O/c1-6-16-9(12)8(4-19)10(17-6)18(7-2-3-7)5-11(13,14)15/h4,7H,2-3,5H2,1H3.
What are the key properties of 4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 293.68 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 80732759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).