2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine

C18H24F3N5 — CID 56872062

IUPAC2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESCc1nccn1CCC1CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C18H24F3N5/c1-14-22-9-13-25(14)10-4-15-5-11-26(12-6-15)17-23-8-3-16(24-17)2-7-18(19,20)21/h3,8-9,13,15H,2,4-7,10-12H2,1H3
InChIKeyWPYKUXHAIRTQJX-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.78
Rot. Bonds6

About 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine

2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 56872062) has the molecular formula C18H24F3N5 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID56872062
Molecular FormulaC18H24F3N5
Molecular Weight367.42 g/mol
Exact Mass367.20
IUPAC Name2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESCc1nccn1CCC1CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C18H24F3N5/c1-14-22-9-13-25(14)10-4-15-5-11-26(12-6-15)17-23-8-3-16(24-17)2-7-18(19,20)21/h3,8-9,13,15H,2,4-7,10-12H2,1H3
InChIKeyWPYKUXHAIRTQJX-UHFFFAOYSA-N
XLogP3.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183040
2-Tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183042
[(1-{[1-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]dimethylamine bis(trifluoroacetate)
CID 45205552
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 53565265
6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56701122
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56704039
N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
CID 56706955
1-(1H-imidazol-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propan-2-amine
CID 56714603
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870118
1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 56872162
N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56872320

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine (CID 56872062) is 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine is Cc1nccn1CCC1CCN(c2nccc(CCC(F)(F)F)n2)CC1.
What is the InChIKey of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is WPYKUXHAIRTQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5/c1-14-22-9-13-25(14)10-4-15-5-11-26(12-6-15)17-23-8-3-16(24-17)2-7-18(19,20)21/h3,8-9,13,15H,2,4-7,10-12H2,1H3.
What are the key properties of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 367.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 56872062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).