N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine

C14H16N4 — CID 141142355

IUPACN-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine
SMILESCCNc1ncc2c(n1)-c1ccccc1NCC2
InChIInChI=1S/C14H16N4/c1-2-15-14-17-9-10-7-8-16-12-6-4-3-5-11(12)13(10)18-14/h3-6,9,16H,2,7-8H2,1H3,(H,15,17,18)
InChIKeyCETHPQNFTNIJSN-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.54
Rot. Bonds2

About N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine

N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine (PubChem CID 141142355) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine.

Molecular Properties

Compound NameN-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine
PubChem CID141142355
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine
SMILESCCNc1ncc2c(n1)-c1ccccc1NCC2
InChIInChI=1S/C14H16N4/c1-2-15-14-17-9-10-7-8-16-12-6-4-3-5-11(12)13(10)18-14/h3-6,9,16H,2,7-8H2,1H3,(H,15,17,18)
InChIKeyCETHPQNFTNIJSN-UHFFFAOYSA-N
XLogP2.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine?
The IUPAC name of N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine (CID 141142355) is N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine.
What is the SMILES notation for N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine?
The canonical SMILES for N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine is CCNc1ncc2c(n1)-c1ccccc1NCC2.
What is the InChIKey of N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine?
The InChIKey is CETHPQNFTNIJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-15-14-17-9-10-7-8-16-12-6-4-3-5-11(12)13(10)18-14/h3-6,9,16H,2,7-8H2,1H3,(H,15,17,18).
What are the key properties of N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine?
N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine is sourced from PubChem (CID 141142355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).