tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate

C16H23ClN4O3 — CID 58293623

IUPACtert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCOc3c(Cl)ncnc32)CC1
InChIInChI=1S/C16H23ClN4O3/c1-16(2,3)24-15(22)20-6-4-11(5-7-20)21-8-9-23-12-13(17)18-10-19-14(12)21/h10-11H,4-9H2,1-3H3
InChIKeyQLXHPGGZINFOSO-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.73
Rot. Bonds1

About tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate

tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate (PubChem CID 58293623) has the molecular formula C16H23ClN4O3 and a molecular weight of 354.84 g/mol. Its IUPAC name is tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate
PubChem CID58293623
Molecular FormulaC16H23ClN4O3
Molecular Weight354.84 g/mol
Exact Mass354.15
IUPAC Nametert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCOc3c(Cl)ncnc32)CC1
InChIInChI=1S/C16H23ClN4O3/c1-16(2,3)24-15(22)20-6-4-11(5-7-20)21-8-9-23-12-13(17)18-10-19-14(12)21/h10-11H,4-9H2,1-3H3
InChIKeyQLXHPGGZINFOSO-UHFFFAOYSA-N
XLogP2.73
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

propan-2-yl 4-(4-chloro-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazepin-9-yl)piperidine-1-carboxylate
CID 58293653
4-(4-chloro-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazepin-9-yl)piperidine-1-carboxylic acid
CID 87244900
tert-butyl 4-[4-[(3,5-difluoro-4-pyridinyl)amino]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazepin-9-yl]piperidine-1-carboxylate
CID 58293635
tert-butyl 4-[(4,6-dichloropyrimidin-5-yl)-hydroxymethyl]piperidine-1-carboxylate
CID 170931453
tert-butyl 4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
CID 58270310
tert-butyl 4-(7-bromo-8-chloro-6-fluoro-3-methylsulfanyl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl)piperidine-1-carboxylate
CID 176724676
tert-butyl (7R)-13-bromo-12-chloro-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14,16-pentaene-5-carboxylate
CID 142468982
tert-butyl 4-(5-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 71748362
tert-butyl 4-(4-amino-6-chloropyrimidine-5-carboximidoyl)piperidine-1-carboxylate
CID 174277550
4-(4-chloro-2-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylic acid
CID 87244935
tert-butyl 4-(5-amino-7λ3-ioda-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-9-yl)piperidine-1-carboxylate
CID 142719414
(2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 175392726

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate (CID 58293623) is tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCOc3c(Cl)ncnc32)CC1.
What is the InChIKey of tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate?
The InChIKey is QLXHPGGZINFOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O3/c1-16(2,3)24-15(22)20-6-4-11(5-7-20)21-8-9-23-12-13(17)18-10-19-14(12)21/h10-11H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate has a molecular weight of 354.84 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58293623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).