tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate

C19H32N6O3 — CID 155439963

IUPACtert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate
SMILESCCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(N2CCOC(C)C2)n1
InChIInChI=1S/C19H32N6O3/c1-6-15-20-16(22-17(21-15)25-11-12-27-14(2)13-25)23-7-9-24(10-8-23)18(26)28-19(3,4)5/h14H,6-13H2,1-5H3
InChIKeyWFNFLOZXROXQLD-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.72
Rot. Bonds3

About tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate (PubChem CID 155439963) has the molecular formula C19H32N6O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate
PubChem CID155439963
Molecular FormulaC19H32N6O3
Molecular Weight392.50 g/mol
Exact Mass392.25
IUPAC Nametert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate
SMILESCCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(N2CCOC(C)C2)n1
InChIInChI=1S/C19H32N6O3/c1-6-15-20-16(22-17(21-15)25-11-12-27-14(2)13-25)23-7-9-24(10-8-23)18(26)28-19(3,4)5/h14H,6-13H2,1-5H3
InChIKeyWFNFLOZXROXQLD-UHFFFAOYSA-N
XLogP1.72
TPSA83.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

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CID 53388012
tert-butyl 4-[4,6-bis[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-1,3,5-triazin-2-yl]-1,4-diazepane-1-carboxylate
CID 90317962
tert-butyl 4-[N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111049327
tert-butyl 4-[4-chloro-6-(6-oxa-8-azabicyclo[3.2.2]nonan-8-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate
CID 155091851
tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062816
tritert-butyl 10-[4-azido-6-[4,7,10-tris[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]-1,3,5-triazin-2-yl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 53387529
tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate
CID 171478111
tert-butyl 4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazine-1-carboxylate
CID 88917317
tert-butyl 4-(6-bromo-2-ethylpyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 104933625
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
tert-butyl 4-(6-methyl-2-morpholin-4-ylpyrimidine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 95752738
tert-butyl 4-[1-[2-methoxy-6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate
CID 126485892

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate (CID 155439963) is tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate is CCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(N2CCOC(C)C2)n1.
What is the InChIKey of tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate?
The InChIKey is WFNFLOZXROXQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O3/c1-6-15-20-16(22-17(21-15)25-11-12-27-14(2)13-25)23-7-9-24(10-8-23)18(26)28-19(3,4)5/h14H,6-13H2,1-5H3.
What are the key properties of tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate has a molecular weight of 392.50 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-ethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 155439963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).