2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine

C12H17F3N4 — CID 20613837

IUPAC2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCC(C)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4/c1-9(2)18-5-7-19(8-6-18)11-16-4-3-10(17-11)12(13,14)15/h3-4,9H,5-8H2,1-2H3
InChIKeyQMBXKDXMCOBPMH-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.03
Rot. Bonds2

About 2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine

2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 20613837) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID20613837
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCC(C)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4/c1-9(2)18-5-7-19(8-6-18)11-16-4-3-10(17-11)12(13,14)15/h3-4,9H,5-8H2,1-2H3
InChIKeyQMBXKDXMCOBPMH-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2778334
CID 2778334
CID 595915
CID 595915
CID 117817172
CID 117817172
CID 13375504
CID 13375504
CID 2773912
CID 2773912
CID 17804394
CID 17804394
CID 117817034
CID 117817034
CID 117817165
CID 117817165
CID 117817545
CID 117817545
CID 117817569
CID 117817569
CID 2782067
CID 2782067
CID 2796113
CID 2796113

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine (CID 20613837) is 2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine is CC(C)N1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is QMBXKDXMCOBPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-9(2)18-5-7-19(8-6-18)11-16-4-3-10(17-11)12(13,14)15/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine?
2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 274.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 20613837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).