tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate

C17H28N4O3 — CID 71302713

IUPACtert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
SMILESCCNc1ccnc(OCC2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C17H28N4O3/c1-5-18-14-8-9-19-15(20-14)23-12-13-7-6-10-21(11-13)16(22)24-17(2,3)4/h8-9,13H,5-7,10-12H2,1-4H3,(H,18,19,20)
InChIKeyFKLZPIBVQGXPHR-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.93
Rot. Bonds5

About tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate

tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate (PubChem CID 71302713) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
PubChem CID71302713
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Nametert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
SMILESCCNc1ccnc(OCC2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C17H28N4O3/c1-5-18-14-8-9-19-15(20-14)23-12-13-7-6-10-21(11-13)16(22)24-17(2,3)4/h8-9,13H,5-7,10-12H2,1-4H3,(H,18,19,20)
InChIKeyFKLZPIBVQGXPHR-UHFFFAOYSA-N
XLogP2.93
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3S)-3-[(2-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 97172386
tert-butyl (3R)-3-[(4-chloro-5-methylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97176747
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
tert-butyl (3S)-3-[(3-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 95731970
tert-butyl (3S)-3-[(5-bromo-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 86334008
tert-butyl (3S)-3-(pyrimidin-2-ylmethyl)piperidine-1-carboxylate
CID 129390877
tert-butyl (3R)-3-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 95732016
tert-butyl (3S)-3-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168352
tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate
CID 97172143
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 86317858
tert-butyl 3-[(5-bromopyrazin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 167713477
tert-butyl 3-[(2,6-difluorophenoxy)methyl]piperidine-1-carboxylate
CID 24902536

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate (CID 71302713) is tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate is CCNc1ccnc(OCC2CCCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is FKLZPIBVQGXPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-18-14-8-9-19-15(20-14)23-12-13-7-6-10-21(11-13)16(22)24-17(2,3)4/h8-9,13H,5-7,10-12H2,1-4H3,(H,18,19,20).
What are the key properties of tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate?
tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 71302713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).