2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine

C18H30N4O3 — CID 131647808

IUPAC2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine
SMILESCOc1cc(N2CCC3OCCCC3(COCCN(C)C)C2)ncn1
InChIInChI=1S/C18H30N4O3/c1-21(2)8-10-24-13-18-6-4-9-25-15(18)5-7-22(12-18)16-11-17(23-3)20-14-19-16/h11,14-15H,4-10,12-13H2,1-3H3
InChIKeyRHYDGXPNESVTGM-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.44
Rot. Bonds7

About 2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine

2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine (PubChem CID 131647808) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine
PubChem CID131647808
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine
SMILESCOc1cc(N2CCC3OCCCC3(COCCN(C)C)C2)ncn1
InChIInChI=1S/C18H30N4O3/c1-21(2)8-10-24-13-18-6-4-9-25-15(18)5-7-22(12-18)16-11-17(23-3)20-14-19-16/h11,14-15H,4-10,12-13H2,1-3H3
InChIKeyRHYDGXPNESVTGM-UHFFFAOYSA-N
XLogP1.44
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine (CID 131647808) is 2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine is COc1cc(N2CCC3OCCCC3(COCCN(C)C)C2)ncn1.
What is the InChIKey of 2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine?
The InChIKey is RHYDGXPNESVTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-21(2)8-10-24-13-18-6-4-9-25-15(18)5-7-22(12-18)16-11-17(23-3)20-14-19-16/h11,14-15H,4-10,12-13H2,1-3H3.
What are the key properties of 2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine?
2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine has a molecular weight of 350.46 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 131647808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).