4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine

C14H16F3N5 — CID 71996187

IUPAC4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)n1
InChIInChI=1S/C14H16F3N5/c1-9-2-5-18-13(20-9)22-6-3-10(4-7-22)12-19-8-11(21-12)14(15,16)17/h2,5,8,10H,3-4,6-7H2,1H3,(H,19,21)
InChIKeyYQUIIROXMLXMFD-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.91
Rot. Bonds2

About 4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine

4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 71996187) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is 4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine
PubChem CID71996187
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC Name4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)n1
InChIInChI=1S/C14H16F3N5/c1-9-2-5-18-13(20-9)22-6-3-10(4-7-22)12-19-8-11(21-12)14(15,16)17/h2,5,8,10H,3-4,6-7H2,1H3,(H,19,21)
InChIKeyYQUIIROXMLXMFD-UHFFFAOYSA-N
XLogP2.91
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine (CID 71996187) is 4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine is Cc1ccnc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine?
The InChIKey is YQUIIROXMLXMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5/c1-9-2-5-18-13(20-9)22-6-3-10(4-7-22)12-19-8-11(21-12)14(15,16)17/h2,5,8,10H,3-4,6-7H2,1H3,(H,19,21).
What are the key properties of 4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine?
4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine has a molecular weight of 311.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 71996187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).