N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide

C11H14ClF3N4O — CID 22390669

IUPACN-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(Cl)nc1NCC(F)(F)F
InChIInChI=1S/C11H14ClF3N4O/c1-10(2,3)19-8(20)6-4-16-9(12)18-7(6)17-5-11(13,14)15/h4H,5H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyMQPADRUKKJGCRU-UHFFFAOYSA-N
MW310.71 g/mol
LogP2.63
Rot. Bonds3

About N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide

N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide (PubChem CID 22390669) has the molecular formula C11H14ClF3N4O and a molecular weight of 310.71 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide
PubChem CID22390669
Molecular FormulaC11H14ClF3N4O
Molecular Weight310.71 g/mol
Exact Mass310.08
IUPAC NameN-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(Cl)nc1NCC(F)(F)F
InChIInChI=1S/C11H14ClF3N4O/c1-10(2,3)19-8(20)6-4-16-9(12)18-7(6)17-5-11(13,14)15/h4H,5H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyMQPADRUKKJGCRU-UHFFFAOYSA-N
XLogP2.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide 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-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide (CID 22390669) is N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide is CC(C)(C)NC(=O)c1cnc(Cl)nc1NCC(F)(F)F.
What is the InChIKey of N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide?
The InChIKey is MQPADRUKKJGCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O/c1-10(2,3)19-8(20)6-4-16-9(12)18-7(6)17-5-11(13,14)15/h4H,5H2,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide?
N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide has a molecular weight of 310.71 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 22390669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).