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

C15H24N4O2 — CID 79082842

IUPACN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NCC2CN3CCCC3CO2)ncn1
InChIInChI=1S/C15H24N4O2/c1-11(2)21-15-6-14(17-10-18-15)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)
InChIKeyNAMTVFUYBHLSKN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.54
Rot. Bonds5

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

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 79082842) 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-propan-2-yloxypyrimidin-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-yloxypyrimidin-4-amine
PubChem CID79082842
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-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NCC2CN3CCCC3CO2)ncn1
InChIInChI=1S/C15H24N4O2/c1-11(2)21-15-6-14(17-10-18-15)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)
InChIKeyNAMTVFUYBHLSKN-UHFFFAOYSA-N
XLogP1.54
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

Analyze N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-yloxypyrimidin-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-yloxypyrimidin-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-yloxypyrimidin-4-amine (CID 79082842) is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-yloxypyrimidin-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-yloxypyrimidin-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-yloxypyrimidin-4-amine is CC(C)Oc1cc(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-yloxypyrimidin-4-amine?
The InChIKey is NAMTVFUYBHLSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)21-15-6-14(17-10-18-15)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-yloxypyrimidin-4-amine?
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 292.38 g/mol, XLogP of 1.54, 5 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-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 79082842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).