N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine

C24H20N4 — CID 71153713

IUPACN,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine
SMILESC1=C2C(=CCC1)c1nc(Nc3ccccc3)ncc1CN=C2c1ccccc1
InChIInChI=1S/C24H20N4/c1-3-9-17(10-4-1)22-20-13-7-8-14-21(20)23-18(15-25-22)16-26-24(28-23)27-19-11-5-2-6-12-19/h1-6,9-14,16H,7-8,15H2,(H,26,27,28)
InChIKeyTWLQXZCECMRZEX-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.33
Rot. Bonds3

About N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine

N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine (PubChem CID 71153713) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine.

Molecular Properties

Compound NameN,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine
PubChem CID71153713
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC NameN,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine
SMILESC1=C2C(=CCC1)c1nc(Nc3ccccc3)ncc1CN=C2c1ccccc1
InChIInChI=1S/C24H20N4/c1-3-9-17(10-4-1)22-20-13-7-8-14-21(20)23-18(15-25-22)16-26-24(28-23)27-19-11-5-2-6-12-19/h1-6,9-14,16H,7-8,15H2,(H,26,27,28)
InChIKeyTWLQXZCECMRZEX-UHFFFAOYSA-N
XLogP5.33
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine?
The IUPAC name of N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine (CID 71153713) is N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine.
What is the SMILES notation for N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine?
The canonical SMILES for N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine is C1=C2C(=CCC1)c1nc(Nc3ccccc3)ncc1CN=C2c1ccccc1.
What is the InChIKey of N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine?
The InChIKey is TWLQXZCECMRZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c1-3-9-17(10-4-1)22-20-13-7-8-14-21(20)23-18(15-25-22)16-26-24(28-23)27-19-11-5-2-6-12-19/h1-6,9-14,16H,7-8,15H2,(H,26,27,28).
What are the key properties of N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine?
N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine has a molecular weight of 364.45 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-diphenyl-9,10-dihydro-5H-pyrimido[5,4-d][2]benzazepin-2-amine is sourced from PubChem (CID 71153713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).