4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde

C10H11ClF3N3O — CID 80732677

IUPAC4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N(C)CCC(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3O/c1-6-15-8(11)7(5-18)9(16-6)17(2)4-3-10(12,13)14/h5H,3-4H2,1-2H3
InChIKeyITBWOWVGTPNEFQ-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.64
Rot. Bonds4

About 4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde (PubChem CID 80732677) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.66 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde
PubChem CID80732677
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.66 g/mol
Exact Mass281.05
IUPAC Name4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N(C)CCC(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3O/c1-6-15-8(11)7(5-18)9(16-6)17(2)4-3-10(12,13)14/h5H,3-4H2,1-2H3
InChIKeyITBWOWVGTPNEFQ-UHFFFAOYSA-N
XLogP2.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde (CID 80732677) is 4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(N(C)CCC(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is ITBWOWVGTPNEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c1-6-15-8(11)7(5-18)9(16-6)17(2)4-3-10(12,13)14/h5H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 281.66 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 80732677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).