N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine

C16H20N4 — CID 80847372

IUPACN-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCCCc3ccccc32)ncn1
InChIInChI=1S/C16H20N4/c1-2-17-15-11-16(19-12-18-15)20-10-6-5-8-13-7-3-4-9-14(13)20/h3-4,7,9,11-12H,2,5-6,8,10H2,1H3,(H,17,18,19)
InChIKeyRGYSXOLFRIPQBD-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.38
Rot. Bonds3

About N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine

N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine (PubChem CID 80847372) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
PubChem CID80847372
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCCCc3ccccc32)ncn1
InChIInChI=1S/C16H20N4/c1-2-17-15-11-16(19-12-18-15)20-10-6-5-8-13-7-3-4-9-14(13)20/h3-4,7,9,11-12H,2,5-6,8,10H2,1H3,(H,17,18,19)
InChIKeyRGYSXOLFRIPQBD-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 112859761
N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80756943
N-cyclopropyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112854768
N-[2-(cyclohexen-1-yl)ethyl]-6-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112856595
N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865139
1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112865154
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531
4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 80765124
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341707
6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
CID 112865076
1-(6-fluoropyrimidin-4-yl)-2,3-dihydroindole
CID 115416366
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874295

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine (CID 80847372) is N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine is CCNc1cc(N2CCCCc3ccccc32)ncn1.
What is the InChIKey of N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine?
The InChIKey is RGYSXOLFRIPQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-17-15-11-16(19-12-18-15)20-10-6-5-8-13-7-3-4-9-14(13)20/h3-4,7,9,11-12H,2,5-6,8,10H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine?
N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80847372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).