2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C14H22N4O2 — CID 79088716

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(C2CN3CCCC3CO2)n1
InChIInChI=1S/C14H22N4O2/c1-15-13-6-10(8-19-2)16-14(17-13)12-7-18-5-3-4-11(18)9-20-12/h6,11-12H,3-5,7-9H2,1-2H3,(H,15,16,17)
InChIKeyFOLCOTJFJJZTFA-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.20
Rot. Bonds4

About 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 79088716) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID79088716
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(C2CN3CCCC3CO2)n1
InChIInChI=1S/C14H22N4O2/c1-15-13-6-10(8-19-2)16-14(17-13)12-7-18-5-3-4-11(18)9-20-12/h6,11-12H,3-5,7-9H2,1-2H3,(H,15,16,17)
InChIKeyFOLCOTJFJJZTFA-UHFFFAOYSA-N
XLogP1.20
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 79088716) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(C2CN3CCCC3CO2)n1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is FOLCOTJFJJZTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-15-13-6-10(8-19-2)16-14(17-13)12-7-18-5-3-4-11(18)9-20-12/h6,11-12H,3-5,7-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79088716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).