2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide

C18H26F3N5O — CID 22064050

IUPAC2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1nc(N2CCN(CC3CC3C(N)=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H26F3N5O/c1-17(2,3)16-23-13(18(19,20)21)9-14(24-16)26-6-4-25(5-7-26)10-11-8-12(11)15(22)27/h9,11-12H,4-8,10H2,1-3H3,(H2,22,27)
InChIKeyIEUXQKVDOCQKDV-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.04
Rot. Bonds4

About 2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide

2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 22064050) has the molecular formula C18H26F3N5O and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide
PubChem CID22064050
Molecular FormulaC18H26F3N5O
Molecular Weight385.43 g/mol
Exact Mass385.21
IUPAC Name2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1nc(N2CCN(CC3CC3C(N)=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H26F3N5O/c1-17(2,3)16-23-13(18(19,20)21)9-14(24-16)26-6-4-25(5-7-26)10-11-8-12(11)15(22)27/h9,11-12H,4-8,10H2,1-3H3,(H2,22,27)
InChIKeyIEUXQKVDOCQKDV-UHFFFAOYSA-N
XLogP2.04
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide (CID 22064050) is 2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide is CC(C)(C)c1nc(N2CCN(CC3CC3C(N)=O)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is IEUXQKVDOCQKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N5O/c1-17(2,3)16-23-13(18(19,20)21)9-14(24-16)26-6-4-25(5-7-26)10-11-8-12(11)15(22)27/h9,11-12H,4-8,10H2,1-3H3,(H2,22,27).
What are the key properties of 2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide?
2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 22064050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).