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

C13H20N4O2 — CID 79071747

IUPACN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC2CN3CCCC3CO2)ncn1
InChIInChI=1S/C13H20N4O2/c1-18-13-5-12(15-9-16-13)14-6-11-7-17-4-2-3-10(17)8-19-11/h5,9-11H,2-4,6-8H2,1H3,(H,14,15,16)
InChIKeyBSXHSDUSVWGFOW-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.76
Rot. Bonds4

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

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxypyrimidin-4-amine (PubChem CID 79071747) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 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-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxypyrimidin-4-amine
PubChem CID79071747
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC2CN3CCCC3CO2)ncn1
InChIInChI=1S/C13H20N4O2/c1-18-13-5-12(15-9-16-13)14-6-11-7-17-4-2-3-10(17)8-19-11/h5,9-11H,2-4,6-8H2,1H3,(H,14,15,16)
InChIKeyBSXHSDUSVWGFOW-UHFFFAOYSA-N
XLogP0.76
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.76
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-methoxypyrimidin-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-methoxypyrimidin-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-methoxypyrimidin-4-amine (CID 79071747) is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxypyrimidin-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-methoxypyrimidin-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-methoxypyrimidin-4-amine is COc1cc(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-methoxypyrimidin-4-amine?
The InChIKey is BSXHSDUSVWGFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-18-13-5-12(15-9-16-13)14-6-11-7-17-4-2-3-10(17)8-19-11/h5,9-11H,2-4,6-8H2,1H3,(H,14,15,16).
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-methoxypyrimidin-4-amine?
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxypyrimidin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 0.76, 4 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-methoxypyrimidin-4-amine is sourced from PubChem (CID 79071747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).