N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane

C14H23F3N4 — CID 144986482

IUPACN-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane
SMILESCC.CC(C)(C)c1cc(NC2CNC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4.C2H6/c1-11(2,3)8-4-9(17-7-5-16-6-7)19-10(18-8)12(13,14)15;1-2/h4,7,16H,5-6H2,1-3H3,(H,17,18,19);1-2H3
InChIKeyBBTINTXVXHBXCW-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.20
Rot. Bonds2

About N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane

N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane (PubChem CID 144986482) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane.

Molecular Properties

Compound NameN-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane
PubChem CID144986482
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC NameN-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane
SMILESCC.CC(C)(C)c1cc(NC2CNC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4.C2H6/c1-11(2,3)8-4-9(17-7-5-16-6-7)19-10(18-8)12(13,14)15;1-2/h4,7,16H,5-6H2,1-3H3,(H,17,18,19);1-2H3
InChIKeyBBTINTXVXHBXCW-UHFFFAOYSA-N
XLogP3.20
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane?
The IUPAC name of N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane (CID 144986482) is N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane.
What is the SMILES notation for N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane?
The canonical SMILES for N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane is CC.CC(C)(C)c1cc(NC2CNC2)nc(C(F)(F)F)n1.
What is the InChIKey of N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane?
The InChIKey is BBTINTXVXHBXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4.C2H6/c1-11(2,3)8-4-9(17-7-5-16-6-7)19-10(18-8)12(13,14)15;1-2/h4,7,16H,5-6H2,1-3H3,(H,17,18,19);1-2H3.
What are the key properties of N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane?
N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane has a molecular weight of 304.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane is sourced from PubChem (CID 144986482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).