N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C13H19F3N4O — CID 62179400

IUPACN-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nc(C(C)C)ncc1NC
InChIInChI=1S/C13H19F3N4O/c1-5-20(7-13(14,15)16)12(21)10-9(17-4)6-18-11(19-10)8(2)3/h6,8,17H,5,7H2,1-4H3
InChIKeyDMUJPXLMXSSWHW-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.67
Rot. Bonds5

About N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 62179400) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID62179400
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nc(C(C)C)ncc1NC
InChIInChI=1S/C13H19F3N4O/c1-5-20(7-13(14,15)16)12(21)10-9(17-4)6-18-11(19-10)8(2)3/h6,8,17H,5,7H2,1-4H3
InChIKeyDMUJPXLMXSSWHW-UHFFFAOYSA-N
XLogP2.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-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-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 62179400) is N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CCN(CC(F)(F)F)C(=O)c1nc(C(C)C)ncc1NC.
What is the InChIKey of N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is DMUJPXLMXSSWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-5-20(7-13(14,15)16)12(21)10-9(17-4)6-18-11(19-10)8(2)3/h6,8,17H,5,7H2,1-4H3.
What are the key properties of N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62179400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).