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

C13H13N3 — CID 54585652

IUPAC2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESc1ccc(-c2ncc3c(n2)CNCC3)cc1
InChIInChI=1S/C13H13N3/c1-2-4-10(5-3-1)13-15-8-11-6-7-14-9-12(11)16-13/h1-5,8,14H,6-7,9H2
InChIKeyPANVXLVRZWXBLS-UHFFFAOYSA-N
MW211.27 g/mol
LogP1.79
Rot. Bonds1

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

2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 54585652) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID54585652
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESc1ccc(-c2ncc3c(n2)CNCC3)cc1
InChIInChI=1S/C13H13N3/c1-2-4-10(5-3-1)13-15-8-11-6-7-14-9-12(11)16-13/h1-5,8,14H,6-7,9H2
InChIKeyPANVXLVRZWXBLS-UHFFFAOYSA-N
XLogP1.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 54585652) is 2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is c1ccc(-c2ncc3c(n2)CNCC3)cc1.
What is the InChIKey of 2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is PANVXLVRZWXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-4-10(5-3-1)13-15-8-11-6-7-14-9-12(11)16-13/h1-5,8,14H,6-7,9H2.
What are the key properties of 2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 211.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 54585652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).