2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C17H17N3O — CID 114742542

IUPAC2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(-c2cc3ccccc3o2)nc2c1CCNC2
InChIInChI=1S/C17H17N3O/c1-2-13-12-7-8-18-10-14(12)20-17(19-13)16-9-11-5-3-4-6-15(11)21-16/h3-6,9,18H,2,7-8,10H2,1H3
InChIKeyVYSJYEQVWHTJPQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.10
Rot. Bonds2

About 2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742542) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742542
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(-c2cc3ccccc3o2)nc2c1CCNC2
InChIInChI=1S/C17H17N3O/c1-2-13-12-7-8-18-10-14(12)20-17(19-13)16-9-11-5-3-4-6-15(11)21-16/h3-6,9,18H,2,7-8,10H2,1H3
InChIKeyVYSJYEQVWHTJPQ-UHFFFAOYSA-N
XLogP3.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742542) is 2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCc1nc(-c2cc3ccccc3o2)nc2c1CCNC2.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is VYSJYEQVWHTJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-13-12-7-8-18-10-14(12)20-17(19-13)16-9-11-5-3-4-6-15(11)21-16/h3-6,9,18H,2,7-8,10H2,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 279.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).