4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C15H17N3 — CID 114742459

IUPAC4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(-c2ccccc2)nc2c1CCNC2
InChIInChI=1S/C15H17N3/c1-2-13-12-8-9-16-10-14(12)18-15(17-13)11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3
InChIKeyVNKIGKWPHFJXGX-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.35
Rot. Bonds2

About 4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742459) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742459
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(-c2ccccc2)nc2c1CCNC2
InChIInChI=1S/C15H17N3/c1-2-13-12-8-9-16-10-14(12)18-15(17-13)11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3
InChIKeyVNKIGKWPHFJXGX-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742459) is 4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCc1nc(-c2ccccc2)nc2c1CCNC2.
What is the InChIKey of 4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is VNKIGKWPHFJXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-13-12-8-9-16-10-14(12)18-15(17-13)11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3.
What are the key properties of 4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 239.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).