tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate

C15H23F3N4O2 — CID 142524520

IUPACtert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C)CNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C15H23F3N4O2/c1-6-22(13(23)24-14(3,4)5)10(2)7-19-12-20-8-11(9-21-12)15(16,17)18/h8-10H,6-7H2,1-5H3,(H,19,20,21)
InChIKeySFANDDHSQVNIEJ-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.55
Rot. Bonds5

About tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate

tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate (PubChem CID 142524520) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate
PubChem CID142524520
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Nametert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C)CNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C15H23F3N4O2/c1-6-22(13(23)24-14(3,4)5)10(2)7-19-12-20-8-11(9-21-12)15(16,17)18/h8-10H,6-7H2,1-5H3,(H,19,20,21)
InChIKeySFANDDHSQVNIEJ-UHFFFAOYSA-N
XLogP3.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate 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 tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate (CID 142524520) is tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate is CCN(C(=O)OC(C)(C)C)C(C)CNc1ncc(C(F)(F)F)cn1.
What is the InChIKey of tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate?
The InChIKey is SFANDDHSQVNIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-6-22(13(23)24-14(3,4)5)10(2)7-19-12-20-8-11(9-21-12)15(16,17)18/h8-10H,6-7H2,1-5H3,(H,19,20,21).
What are the key properties of tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate?
tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate has a molecular weight of 348.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]carbamate is sourced from PubChem (CID 142524520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).