4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine

C12H16F3N3O — CID 70938246

IUPAC4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCCOc1cc(N2CCCC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C12H16F3N3O/c1-2-19-11-6-10(16-8-17-11)18-5-3-4-9(7-18)12(13,14)15/h6,8-9H,2-5,7H2,1H3
InChIKeyXNZHWPPKQOZAEV-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.65
Rot. Bonds3

About 4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine

4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 70938246) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID70938246
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCCOc1cc(N2CCCC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C12H16F3N3O/c1-2-19-11-6-10(16-8-17-11)18-5-3-4-9(7-18)12(13,14)15/h6,8-9H,2-5,7H2,1H3
InChIKeyXNZHWPPKQOZAEV-UHFFFAOYSA-N
XLogP2.65
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-Methoxypyrimidin-4-yl)morpholine
CID 3242788
4-(3-Methoxypropoxy)-6-pyrrolidin-1-ylpyrimidine
CID 172434283
6-(1-methylpiperidin-4-yl)oxy-N-propan-2-ylpyrimidin-4-amine
CID 172438673
6-ethoxy-N-(piperidin-4-yl)pyrimidin-4-amine
CID 66319018
6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 91660989
(3S)-1-(6-ethoxypyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)azepane
CID 99621748
4-(2,3-Dimethylazetidin-1-yl)-6-ethoxypyrimidine
CID 122154234
4-ethoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447536
N'-methyl-N-[6-(oxan-4-yloxy)pyrimidin-4-yl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 136561977
5-Fluoro-4-(3-methylpiperidino)-6-(2-pentynyloxy)pyrimidine
CID 11507380
4-But-2-ynoxy-6-(4-fluoropiperidin-1-yl)pyrimidine
CID 11673228
Tert-butyl 4-[2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 21906048

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 70938246) is 4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is CCOc1cc(N2CCCC(C(F)(F)F)C2)ncn1.
What is the InChIKey of 4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is XNZHWPPKQOZAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-19-11-6-10(16-8-17-11)18-5-3-4-9(7-18)12(13,14)15/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 275.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 70938246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).