8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine

C16H13BrN4 — CID 155340521

IUPAC8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine
SMILESBrc1cccc(-c2ncc3ccnc(N4CCC4)c3n2)c1
InChIInChI=1S/C16H13BrN4/c17-13-4-1-3-11(9-13)15-19-10-12-5-6-18-16(14(12)20-15)21-7-2-8-21/h1,3-6,9-10H,2,7-8H2
InChIKeyDKXYSUWAXGBPMG-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.66
Rot. Bonds2

About 8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine

8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine (PubChem CID 155340521) has the molecular formula C16H13BrN4 and a molecular weight of 341.21 g/mol. Its IUPAC name is 8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine
PubChem CID155340521
Molecular FormulaC16H13BrN4
Molecular Weight341.21 g/mol
Exact Mass340.03
IUPAC Name8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine
SMILESBrc1cccc(-c2ncc3ccnc(N4CCC4)c3n2)c1
InChIInChI=1S/C16H13BrN4/c17-13-4-1-3-11(9-13)15-19-10-12-5-6-18-16(14(12)20-15)21-7-2-8-21/h1,3-6,9-10H,2,7-8H2
InChIKeyDKXYSUWAXGBPMG-UHFFFAOYSA-N
XLogP3.66
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine?
The IUPAC name of 8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine (CID 155340521) is 8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine is Brc1cccc(-c2ncc3ccnc(N4CCC4)c3n2)c1.
What is the InChIKey of 8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine?
The InChIKey is DKXYSUWAXGBPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4/c17-13-4-1-3-11(9-13)15-19-10-12-5-6-18-16(14(12)20-15)21-7-2-8-21/h1,3-6,9-10H,2,7-8H2.
What are the key properties of 8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine?
8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine has a molecular weight of 341.21 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 155340521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).