4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C13H15N3O — CID 114742401

IUPAC4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(-c2ccco2)nc2c1CCNC2
InChIInChI=1S/C13H15N3O/c1-2-10-9-5-6-14-8-11(9)16-13(15-10)12-4-3-7-17-12/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyIGOVJFDRKGSXHT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.94
Rot. Bonds2

About 4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742401) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742401
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(-c2ccco2)nc2c1CCNC2
InChIInChI=1S/C13H15N3O/c1-2-10-9-5-6-14-8-11(9)16-13(15-10)12-4-3-7-17-12/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyIGOVJFDRKGSXHT-UHFFFAOYSA-N
XLogP1.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742401) is 4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCc1nc(-c2ccco2)nc2c1CCNC2.
What is the InChIKey of 4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is IGOVJFDRKGSXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-10-9-5-6-14-8-11(9)16-13(15-10)12-4-3-7-17-12/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of 4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 229.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).