5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one

C16H18N4O — CID 58146105

IUPAC5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one
SMILESCNc1ncc2c(n1)-c1ccccc1N(C)C(=O)C2(C)C
InChIInChI=1S/C16H18N4O/c1-16(2)11-9-18-15(17-3)19-13(11)10-7-5-6-8-12(10)20(4)14(16)21/h5-9H,1-4H3,(H,17,18,19)
InChIKeyPVBWTRVXJYCPNY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.44
Rot. Bonds1

About 5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one

5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one (PubChem CID 58146105) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one.

Molecular Properties

Compound Name5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one
PubChem CID58146105
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one
SMILESCNc1ncc2c(n1)-c1ccccc1N(C)C(=O)C2(C)C
InChIInChI=1S/C16H18N4O/c1-16(2)11-9-18-15(17-3)19-13(11)10-7-5-6-8-12(10)20(4)14(16)21/h5-9H,1-4H3,(H,17,18,19)
InChIKeyPVBWTRVXJYCPNY-UHFFFAOYSA-N
XLogP2.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one?
The IUPAC name of 5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one (CID 58146105) is 5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one.
What is the SMILES notation for 5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one?
The canonical SMILES for 5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one is CNc1ncc2c(n1)-c1ccccc1N(C)C(=O)C2(C)C.
What is the InChIKey of 5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one?
The InChIKey is PVBWTRVXJYCPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-16(2)11-9-18-15(17-3)19-13(11)10-7-5-6-8-12(10)20(4)14(16)21/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one?
5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one has a molecular weight of 282.35 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trimethyl-2-(methylamino)pyrimido[5,4-d][1]benzazepin-6-one is sourced from PubChem (CID 58146105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).