4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine

C15H23N3O3 — CID 131663467

IUPAC4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
SMILESCOCC12CCCOC1CCN(c1cc(OC)ncn1)C2
InChIInChI=1S/C15H23N3O3/c1-19-10-15-5-3-7-21-12(15)4-6-18(9-15)13-8-14(20-2)17-11-16-13/h8,11-12H,3-7,9-10H2,1-2H3
InChIKeyJRMQUGCDFWNWRB-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.51
Rot. Bonds4

About 4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine

4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine (PubChem CID 131663467) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine.

Molecular Properties

Compound Name4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
PubChem CID131663467
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
SMILESCOCC12CCCOC1CCN(c1cc(OC)ncn1)C2
InChIInChI=1S/C15H23N3O3/c1-19-10-15-5-3-7-21-12(15)4-6-18(9-15)13-8-14(20-2)17-11-16-13/h8,11-12H,3-7,9-10H2,1-2H3
InChIKeyJRMQUGCDFWNWRB-UHFFFAOYSA-N
XLogP1.51
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The IUPAC name of 4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine (CID 131663467) is 4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine.
What is the SMILES notation for 4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The canonical SMILES for 4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine is COCC12CCCOC1CCN(c1cc(OC)ncn1)C2.
What is the InChIKey of 4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The InChIKey is JRMQUGCDFWNWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-19-10-15-5-3-7-21-12(15)4-6-18(9-15)13-8-14(20-2)17-11-16-13/h8,11-12H,3-7,9-10H2,1-2H3.
What are the key properties of 4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine has a molecular weight of 293.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine is sourced from PubChem (CID 131663467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).