6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

C14H21N3O2 — CID 86797813

IUPAC6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESCCOc1cc(N2CCC3OCCCC3C2)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-18-14-8-13(15-10-16-14)17-6-5-12-11(9-17)4-3-7-19-12/h8,10-12H,2-7,9H2,1H3
InChIKeyPLMKDXHIQAKZKJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.88
Rot. Bonds3

About 6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (PubChem CID 86797813) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.

Molecular Properties

Compound Name6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
PubChem CID86797813
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESCCOc1cc(N2CCC3OCCCC3C2)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-18-14-8-13(15-10-16-14)17-6-5-12-11(9-17)4-3-7-19-12/h8,10-12H,2-7,9H2,1H3
InChIKeyPLMKDXHIQAKZKJ-UHFFFAOYSA-N
XLogP1.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The IUPAC name of 6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (CID 86797813) is 6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.
What is the SMILES notation for 6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The canonical SMILES for 6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is CCOc1cc(N2CCC3OCCCC3C2)ncn1.
What is the InChIKey of 6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The InChIKey is PLMKDXHIQAKZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-18-14-8-13(15-10-16-14)17-6-5-12-11(9-17)4-3-7-19-12/h8,10-12H,2-7,9H2,1H3.
What are the key properties of 6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine has a molecular weight of 263.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is sourced from PubChem (CID 86797813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).