ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate

C18H19F3N4O2 — CID 155900985

IUPACethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C18H19F3N4O2/c1-2-27-17(26)12-6-9-25(10-7-12)15-11-14(18(19,20)21)23-16(24-15)13-5-3-4-8-22-13/h3-5,8,11-12H,2,6-7,9-10H2,1H3
InChIKeySVVNRVSBYKRAEF-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.34
Rot. Bonds4

About ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate

ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 155900985) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID155900985
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Nameethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C18H19F3N4O2/c1-2-27-17(26)12-6-9-25(10-7-12)15-11-14(18(19,20)21)23-16(24-15)13-5-3-4-8-22-13/h3-5,8,11-12H,2,6-7,9-10H2,1H3
InChIKeySVVNRVSBYKRAEF-UHFFFAOYSA-N
XLogP3.34
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2,6-dipyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 45488810
4-[2-(Tetrahydro-furan-3-yl)-6-(4-trifluoromethyl-pyridin-2-ylamino)-pyrimidin-4-yl]-piperidin-2-one
CID 117685245
[2-Isopropoxy-6-(tetrahydro-pyran-4-yl)-pyrimidin-4-yl]-(4-trifluoromethyl-pyridin-2-yl)-amine
CID 117685541
(2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]butanoic acid
CID 139463752
4-(4-Methylpiperazino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1475713
Methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate
CID 15518524
Methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate
CID 48930529
N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 48930649
2-{4-[4-(4-Fluorophenyl)piperazine-1-carbonyl]piperidin-1-YL}-4-methylpyrimidine
CID 53102141
[4-(2-Fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 53102154
Ethyl 1-({6-fluoroimidazo[1,2-A]pyridin-2-YL}methyl)piperidine-4-carboxylate
CID 53171819
1-[4-(2-Fluorophenyl)piperazin-1-yl]-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
CID 53189256

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate (CID 155900985) is ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1.
What is the InChIKey of ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is SVVNRVSBYKRAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-2-27-17(26)12-6-9-25(10-7-12)15-11-14(18(19,20)21)23-16(24-15)13-5-3-4-8-22-13/h3-5,8,11-12H,2,6-7,9-10H2,1H3.
What are the key properties of ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate?
ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 380.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 155900985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).