N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide

C8H7ClF3N3O — CID 166776611

IUPACN-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide
SMILESCc1ncnc(Cl)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C8H7ClF3N3O/c1-4-6(7(9)14-3-13-4)15-5(16)2-8(10,11)12/h3H,2H2,1H3,(H,15,16)
InChIKeyQCEFRYFBHMNPIL-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.33
Rot. Bonds2

About N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide

N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide (PubChem CID 166776611) has the molecular formula C8H7ClF3N3O and a molecular weight of 253.61 g/mol. Its IUPAC name is N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide
PubChem CID166776611
Molecular FormulaC8H7ClF3N3O
Molecular Weight253.61 g/mol
Exact Mass253.02
IUPAC NameN-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide
SMILESCc1ncnc(Cl)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C8H7ClF3N3O/c1-4-6(7(9)14-3-13-4)15-5(16)2-8(10,11)12/h3H,2H2,1H3,(H,15,16)
InChIKeyQCEFRYFBHMNPIL-UHFFFAOYSA-N
XLogP2.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide 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 N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide (CID 166776611) is N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide is Cc1ncnc(Cl)c1NC(=O)CC(F)(F)F.
What is the InChIKey of N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide?
The InChIKey is QCEFRYFBHMNPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O/c1-4-6(7(9)14-3-13-4)15-5(16)2-8(10,11)12/h3H,2H2,1H3,(H,15,16).
What are the key properties of N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide?
N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide has a molecular weight of 253.61 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 166776611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).