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

C15H24N4O2 — CID 79082028

IUPACN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC2CN3CCCC3CO2)ncn1
InChIInChI=1S/C15H24N4O2/c1-2-6-20-15-7-14(17-11-18-15)16-8-13-9-19-5-3-4-12(19)10-21-13/h7,11-13H,2-6,8-10H2,1H3,(H,16,17,18)
InChIKeyFJUJAGXSHWEUQO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.54
Rot. Bonds6

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

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propoxypyrimidin-4-amine (PubChem CID 79082028) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 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-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propoxypyrimidin-4-amine
PubChem CID79082028
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC2CN3CCCC3CO2)ncn1
InChIInChI=1S/C15H24N4O2/c1-2-6-20-15-7-14(17-11-18-15)16-8-13-9-19-5-3-4-12(19)10-21-13/h7,11-13H,2-6,8-10H2,1H3,(H,16,17,18)
InChIKeyFJUJAGXSHWEUQO-UHFFFAOYSA-N
XLogP1.54
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-propoxypyrimidin-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-propoxypyrimidin-4-amine (CID 79082028) is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propoxypyrimidin-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-propoxypyrimidin-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-propoxypyrimidin-4-amine is CCCOc1cc(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-propoxypyrimidin-4-amine?
The InChIKey is FJUJAGXSHWEUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-6-20-15-7-14(17-11-18-15)16-8-13-9-19-5-3-4-12(19)10-21-13/h7,11-13H,2-6,8-10H2,1H3,(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-propoxypyrimidin-4-amine?
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propoxypyrimidin-4-amine has a molecular weight of 292.38 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-propoxypyrimidin-4-amine is sourced from PubChem (CID 79082028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).