2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine

C19H15N3 — CID 13225502

IUPAC2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine
SMILESCc1ncc2c(n1)-c1ccccc1C(c1ccccc1)=NC2
InChIInChI=1S/C19H15N3/c1-13-20-11-15-12-21-18(14-7-3-2-4-8-14)16-9-5-6-10-17(16)19(15)22-13/h2-11H,12H2,1H3
InChIKeySMWGBXIRUYYOHG-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.80
Rot. Bonds1

About 2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine

2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine (PubChem CID 13225502) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine.

Molecular Properties

Compound Name2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine
PubChem CID13225502
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine
SMILESCc1ncc2c(n1)-c1ccccc1C(c1ccccc1)=NC2
InChIInChI=1S/C19H15N3/c1-13-20-11-15-12-21-18(14-7-3-2-4-8-14)16-9-5-6-10-17(16)19(15)22-13/h2-11H,12H2,1H3
InChIKeySMWGBXIRUYYOHG-UHFFFAOYSA-N
XLogP3.80
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine?
The IUPAC name of 2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine (CID 13225502) is 2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine.
What is the SMILES notation for 2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine?
The canonical SMILES for 2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine is Cc1ncc2c(n1)-c1ccccc1C(c1ccccc1)=NC2.
What is the InChIKey of 2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine?
The InChIKey is SMWGBXIRUYYOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-13-20-11-15-12-21-18(14-7-3-2-4-8-14)16-9-5-6-10-17(16)19(15)22-13/h2-11H,12H2,1H3.
What are the key properties of 2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine?
2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine has a molecular weight of 285.35 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine is sourced from PubChem (CID 13225502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).