N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide

C12H12ClF3N4O — CID 22243405

IUPACN-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide
SMILESO=C(NC1CC2CNC1C2)c1ncc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C12H12ClF3N4O/c13-6-4-18-10(20-9(6)12(14,15)16)11(21)19-8-2-5-1-7(8)17-3-5/h4-5,7-8,17H,1-3H2,(H,19,21)
InChIKeyFAXUMOUKWOKSFP-UHFFFAOYSA-N
MW320.70 g/mol
LogP1.63
Rot. Bonds2

About N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide

N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide (PubChem CID 22243405) has the molecular formula C12H12ClF3N4O and a molecular weight of 320.70 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide
PubChem CID22243405
Molecular FormulaC12H12ClF3N4O
Molecular Weight320.70 g/mol
Exact Mass320.07
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide
SMILESO=C(NC1CC2CNC1C2)c1ncc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C12H12ClF3N4O/c13-6-4-18-10(20-9(6)12(14,15)16)11(21)19-8-2-5-1-7(8)17-3-5/h4-5,7-8,17H,1-3H2,(H,19,21)
InChIKeyFAXUMOUKWOKSFP-UHFFFAOYSA-N
XLogP1.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide
CID 22350376
2-acetyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)furo[3,2-c]pyridine-6-carboxamide
CID 22389462
N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide
CID 22243648
N-(2-azabicyclo[2.2.1]heptan-6-yl)furo[2,3-c]pyridine-5-carboxamide
CID 22389421
N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 22566092
N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 99719190
N-[(1R,4S,6S)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-c]pyrimidine-7-carboxamide
CID 99719189
N-[(1S,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-a]pyrazine-6-carboxamide
CID 98077691
N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-a]pyrazine-6-carboxamide
CID 99719176
N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide
CID 22350277
N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide
CID 99719181
5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide
CID 22350867

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide (CID 22243405) is N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide is O=C(NC1CC2CNC1C2)c1ncc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide?
The InChIKey is FAXUMOUKWOKSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N4O/c13-6-4-18-10(20-9(6)12(14,15)16)11(21)19-8-2-5-1-7(8)17-3-5/h4-5,7-8,17H,1-3H2,(H,19,21).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide has a molecular weight of 320.70 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-4-(trifluoromethyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 22243405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).