6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine

C15H24N4O2 — CID 138053302

IUPAC6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC23COCCN2CCOC3)nc(C)n1
InChIInChI=1S/C15H24N4O2/c1-3-13-8-14(18-12(2)17-13)16-9-15-10-20-6-4-19(15)5-7-21-11-15/h8H,3-7,9-11H2,1-2H3,(H,16,17,18)
InChIKeyYLRXHQWQOYCKRS-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.86
Rot. Bonds4

About 6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine

6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine (PubChem CID 138053302) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine
PubChem CID138053302
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC23COCCN2CCOC3)nc(C)n1
InChIInChI=1S/C15H24N4O2/c1-3-13-8-14(18-12(2)17-13)16-9-15-10-20-6-4-19(15)5-7-21-11-15/h8H,3-7,9-11H2,1-2H3,(H,16,17,18)
InChIKeyYLRXHQWQOYCKRS-UHFFFAOYSA-N
XLogP0.86
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine (CID 138053302) is 6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine is CCc1cc(NCC23COCCN2CCOC3)nc(C)n1.
What is the InChIKey of 6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine?
The InChIKey is YLRXHQWQOYCKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-13-8-14(18-12(2)17-13)16-9-15-10-20-6-4-19(15)5-7-21-11-15/h8H,3-7,9-11H2,1-2H3,(H,16,17,18).
What are the key properties of 6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine?
6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine has a molecular weight of 292.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 138053302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).