5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine

C18H17N3O2 — CID 70554952

IUPAC5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine
SMILESCCOC1Oc2ccccc2C2C1=CN=CN2c1ccccn1
InChIInChI=1S/C18H17N3O2/c1-2-22-18-14-11-19-12-21(16-9-5-6-10-20-16)17(14)13-7-3-4-8-15(13)23-18/h3-12,17-18H,2H2,1H3
InChIKeyUBCAZEDVPAIYCG-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.31
Rot. Bonds3

About 5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine

5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine (PubChem CID 70554952) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine
PubChem CID70554952
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine
SMILESCCOC1Oc2ccccc2C2C1=CN=CN2c1ccccn1
InChIInChI=1S/C18H17N3O2/c1-2-22-18-14-11-19-12-21(16-9-5-6-10-20-16)17(14)13-7-3-4-8-15(13)23-18/h3-12,17-18H,2H2,1H3
InChIKeyUBCAZEDVPAIYCG-UHFFFAOYSA-N
XLogP3.31
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine?
The IUPAC name of 5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine (CID 70554952) is 5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine.
What is the SMILES notation for 5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine?
The canonical SMILES for 5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine is CCOC1Oc2ccccc2C2C1=CN=CN2c1ccccn1.
What is the InChIKey of 5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine?
The InChIKey is UBCAZEDVPAIYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-22-18-14-11-19-12-21(16-9-5-6-10-20-16)17(14)13-7-3-4-8-15(13)23-18/h3-12,17-18H,2H2,1H3.
What are the key properties of 5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine?
5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine has a molecular weight of 307.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-pyridin-2-yl-5,10b-dihydrochromeno[4,3-d]pyrimidine is sourced from PubChem (CID 70554952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).