2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

C17H20F3N5 — CID 70706800

IUPAC2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC(c3nccn3CC3CC3)CC2)n1
InChIInChI=1S/C17H20F3N5/c18-17(19,20)14-3-6-22-16(23-14)24-8-4-13(5-9-24)15-21-7-10-25(15)11-12-1-2-12/h3,6-7,10,12-13H,1-2,4-5,8-9,11H2
InChIKeyFMAPSIRWNXAOJA-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.49
Rot. Bonds4

About 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 70706800) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID70706800
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC Name2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC(c3nccn3CC3CC3)CC2)n1
InChIInChI=1S/C17H20F3N5/c18-17(19,20)14-3-6-22-16(23-14)24-8-4-13(5-9-24)15-21-7-10-25(15)11-12-1-2-12/h3,6-7,10,12-13H,1-2,4-5,8-9,11H2
InChIKeyFMAPSIRWNXAOJA-UHFFFAOYSA-N
XLogP3.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 70706800) is 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(N2CCC(c3nccn3CC3CC3)CC2)n1.
What is the InChIKey of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is FMAPSIRWNXAOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5/c18-17(19,20)14-3-6-22-16(23-14)24-8-4-13(5-9-24)15-21-7-10-25(15)11-12-1-2-12/h3,6-7,10,12-13H,1-2,4-5,8-9,11H2.
What are the key properties of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 351.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 70706800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).