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

C14H22N4O2 — CID 79071130

IUPACN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCC2CN3CCCC3CO2)nc(C)n1
InChIInChI=1S/C14H22N4O2/c1-10-16-13(6-14(17-10)19-2)15-7-12-8-18-5-3-4-11(18)9-20-12/h6,11-12H,3-5,7-9H2,1-2H3,(H,15,16,17)
InChIKeyDPSGXQSYNZPCJI-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.07
Rot. Bonds4

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

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 79071130) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 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-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID79071130
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCC2CN3CCCC3CO2)nc(C)n1
InChIInChI=1S/C14H22N4O2/c1-10-16-13(6-14(17-10)19-2)15-7-12-8-18-5-3-4-11(18)9-20-12/h6,11-12H,3-5,7-9H2,1-2H3,(H,15,16,17)
InChIKeyDPSGXQSYNZPCJI-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
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-methoxy-2-methylpyrimidin-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-methoxy-2-methylpyrimidin-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-methoxy-2-methylpyrimidin-4-amine (CID 79071130) is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxy-2-methylpyrimidin-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-methoxy-2-methylpyrimidin-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-methoxy-2-methylpyrimidin-4-amine is COc1cc(NCC2CN3CCCC3CO2)nc(C)n1.
What is the InChIKey of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is DPSGXQSYNZPCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-16-13(6-14(17-10)19-2)15-7-12-8-18-5-3-4-11(18)9-20-12/h6,11-12H,3-5,7-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine?
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 1.07, 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-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 79071130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).