2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

C16H20F3N5 — CID 72871667

IUPAC2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCC(C)n1ccnc1C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H20F3N5/c1-11(2)24-10-7-20-14(24)12-4-8-23(9-5-12)15-21-6-3-13(22-15)16(17,18)19/h3,6-7,10-12H,4-5,8-9H2,1-2H3
InChIKeyHCZCPLQZKQSMDD-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.66
Rot. Bonds3

About 2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 72871667) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID72871667
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC Name2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCC(C)n1ccnc1C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H20F3N5/c1-11(2)24-10-7-20-14(24)12-4-8-23(9-5-12)15-21-6-3-13(22-15)16(17,18)19/h3,6-7,10-12H,4-5,8-9H2,1-2H3
InChIKeyHCZCPLQZKQSMDD-UHFFFAOYSA-N
XLogP3.66
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 72871667) is 2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is CC(C)n1ccnc1C1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is HCZCPLQZKQSMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-11(2)24-10-7-20-14(24)12-4-8-23(9-5-12)15-21-6-3-13(22-15)16(17,18)19/h3,6-7,10-12H,4-5,8-9H2,1-2H3.
What are the key properties of 2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 339.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 72871667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).