7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine

C18H14N4 — CID 13143659

IUPAC7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine
SMILESNc1ncc2c(n1)-c1ccccc1C(c1ccccc1)=NC2
InChIInChI=1S/C18H14N4/c19-18-21-11-13-10-20-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(13)22-18/h1-9,11H,10H2,(H2,19,21,22)
InChIKeyDZPNYGJOHBPANE-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.08
Rot. Bonds1

About 7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine

7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine (PubChem CID 13143659) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine.

Molecular Properties

Compound Name7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine
PubChem CID13143659
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine
SMILESNc1ncc2c(n1)-c1ccccc1C(c1ccccc1)=NC2
InChIInChI=1S/C18H14N4/c19-18-21-11-13-10-20-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(13)22-18/h1-9,11H,10H2,(H2,19,21,22)
InChIKeyDZPNYGJOHBPANE-UHFFFAOYSA-N
XLogP3.08
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine?
The IUPAC name of 7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine (CID 13143659) is 7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine.
What is the SMILES notation for 7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine?
The canonical SMILES for 7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine is Nc1ncc2c(n1)-c1ccccc1C(c1ccccc1)=NC2.
What is the InChIKey of 7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine?
The InChIKey is DZPNYGJOHBPANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c19-18-21-11-13-10-20-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(13)22-18/h1-9,11H,10H2,(H2,19,21,22).
What are the key properties of 7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine?
7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine has a molecular weight of 286.34 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-amine is sourced from PubChem (CID 13143659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).