4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

C28H35N5O — CID 11712244

IUPAC4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCCc1cccc(CC)c1-c1nc(C)c(CN2CCOc3cccnc32)c(N2CCCCC2)n1
InChIInChI=1S/C28H35N5O/c1-4-21-11-9-12-22(5-2)25(21)26-30-20(3)23(27(31-26)32-15-7-6-8-16-32)19-33-17-18-34-24-13-10-14-29-28(24)33/h9-14H,4-8,15-19H2,1-3H3
InChIKeyMHNWFPRPQULSNM-UHFFFAOYSA-N
MW457.62 g/mol
LogP5.36
Rot. Bonds6

About 4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 11712244) has the molecular formula C28H35N5O and a molecular weight of 457.62 g/mol. Its IUPAC name is 4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID11712244
Molecular FormulaC28H35N5O
Molecular Weight457.62 g/mol
Exact Mass457.28
IUPAC Name4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCCc1cccc(CC)c1-c1nc(C)c(CN2CCOc3cccnc32)c(N2CCCCC2)n1
InChIInChI=1S/C28H35N5O/c1-4-21-11-9-12-22(5-2)25(21)26-30-20(3)23(27(31-26)32-15-7-6-8-16-32)19-33-17-18-34-24-13-10-14-29-28(24)33/h9-14H,4-8,15-19H2,1-3H3
InChIKeyMHNWFPRPQULSNM-UHFFFAOYSA-N
XLogP5.36
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 11712244) is 4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is CCc1cccc(CC)c1-c1nc(C)c(CN2CCOc3cccnc32)c(N2CCCCC2)n1.
What is the InChIKey of 4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is MHNWFPRPQULSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O/c1-4-21-11-9-12-22(5-2)25(21)26-30-20(3)23(27(31-26)32-15-7-6-8-16-32)19-33-17-18-34-24-13-10-14-29-28(24)33/h9-14H,4-8,15-19H2,1-3H3.
What are the key properties of 4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 457.62 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 11712244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).