N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine

C15H24N4O — CID 78956169

IUPACN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCC2CN3CCCC3CO2)ncn1
InChIInChI=1S/C15H24N4O/c1-11(2)14-6-15(18-10-17-14)16-7-13-8-19-5-3-4-12(19)9-20-13/h6,10-13H,3-5,7-9H2,1-2H3,(H,16,17,18)
InChIKeyDFTUICGOEXODIN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds4

About N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 78956169) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID78956169
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCC2CN3CCCC3CO2)ncn1
InChIInChI=1S/C15H24N4O/c1-11(2)14-6-15(18-10-17-14)16-7-13-8-19-5-3-4-12(19)9-20-13/h6,10-13H,3-5,7-9H2,1-2H3,(H,16,17,18)
InChIKeyDFTUICGOEXODIN-UHFFFAOYSA-N
XLogP1.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine (CID 78956169) is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCC2CN3CCCC3CO2)ncn1.
What is the InChIKey of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is DFTUICGOEXODIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)14-6-15(18-10-17-14)16-7-13-8-19-5-3-4-12(19)9-20-13/h6,10-13H,3-5,7-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 78956169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).