tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate

C14H21F3N4O2 — CID 141414328

IUPACtert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate
SMILESCN(CCN(C)c1nccc(C(F)(F)F)n1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)21(5)9-8-20(4)11-18-7-6-10(19-11)14(15,16)17/h6-7H,8-9H2,1-5H3
InChIKeyQNGHRNJQKASBMY-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.80
Rot. Bonds4

About tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate (PubChem CID 141414328) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate
PubChem CID141414328
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Nametert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate
SMILESCN(CCN(C)c1nccc(C(F)(F)F)n1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)21(5)9-8-20(4)11-18-7-6-10(19-11)14(15,16)17/h6-7H,8-9H2,1-5H3
InChIKeyQNGHRNJQKASBMY-UHFFFAOYSA-N
XLogP2.80
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate (CID 141414328) is tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate is CN(CCN(C)c1nccc(C(F)(F)F)n1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate?
The InChIKey is QNGHRNJQKASBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)21(5)9-8-20(4)11-18-7-6-10(19-11)14(15,16)17/h6-7H,8-9H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate has a molecular weight of 334.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamate is sourced from PubChem (CID 141414328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).