4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde

C9H7ClF3N3O — CID 106214694

IUPAC4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H7ClF3N3O/c10-6-5(3-17)7(15-4-14-6)16-8(1-2-8)9(11,12)13/h3-4H,1-2H2,(H,14,15,16)
InChIKeyDDCDONWNTQDOCK-UHFFFAOYSA-N
MW265.62 g/mol
LogP2.45
Rot. Bonds3

About 4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde

4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde (PubChem CID 106214694) has the molecular formula C9H7ClF3N3O and a molecular weight of 265.62 g/mol. Its IUPAC name is 4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde
PubChem CID106214694
Molecular FormulaC9H7ClF3N3O
Molecular Weight265.62 g/mol
Exact Mass265.02
IUPAC Name4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H7ClF3N3O/c10-6-5(3-17)7(15-4-14-6)16-8(1-2-8)9(11,12)13/h3-4H,1-2H2,(H,14,15,16)
InChIKeyDDCDONWNTQDOCK-UHFFFAOYSA-N
XLogP2.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.45
H-Bond Donors ≤ 51
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-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde (CID 106214694) is 4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1NC1(C(F)(F)F)CC1.
What is the InChIKey of 4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde?
The InChIKey is DDCDONWNTQDOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3O/c10-6-5(3-17)7(15-4-14-6)16-8(1-2-8)9(11,12)13/h3-4H,1-2H2,(H,14,15,16).
What are the key properties of 4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde?
4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde has a molecular weight of 265.62 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 106214694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).