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

C10H13F3N4O — CID 55043673

IUPAC5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O/c1-5(2)8-15-3-6(14)7(17-8)9(18)16-4-10(11,12)13/h3,5H,4,14H2,1-2H3,(H,16,18)
InChIKeyDLUFSLPRJZYCIO-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.47
Rot. Bonds3

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

5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 55043673) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID55043673
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O/c1-5(2)8-15-3-6(14)7(17-8)9(18)16-4-10(11,12)13/h3,5H,4,14H2,1-2H3,(H,16,18)
InChIKeyDLUFSLPRJZYCIO-UHFFFAOYSA-N
XLogP1.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-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 5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 55043673) is 5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)NCC(F)(F)F)n1.
What is the InChIKey of 5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is DLUFSLPRJZYCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-5(2)8-15-3-6(14)7(17-8)9(18)16-4-10(11,12)13/h3,5H,4,14H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 55043673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).