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

C17H22N4 — CID 80959581

IUPAC2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CCCCc3ccccc32)n1
InChIInChI=1S/C17H22N4/c1-12(2)17-19-15(18)11-16(20-17)21-10-6-5-8-13-7-3-4-9-14(13)21/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H2,18,19,20)
InChIKeyCAOFMBVCQCPXET-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.66
Rot. Bonds2

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

2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine (PubChem CID 80959581) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
PubChem CID80959581
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CCCCc3ccccc32)n1
InChIInChI=1S/C17H22N4/c1-12(2)17-19-15(18)11-16(20-17)21-10-6-5-8-13-7-3-4-9-14(13)21/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H2,18,19,20)
InChIKeyCAOFMBVCQCPXET-UHFFFAOYSA-N
XLogP3.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-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

(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine
CID 79009222
6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine
CID 80945604
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633070
1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine
CID 114047648
(1R)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502673
(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502674
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine
CID 112746241
(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502668
2-[1-(6-amino-2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80955483
2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39377350
N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80847372

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine (CID 80959581) is 2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine is CC(C)c1nc(N)cc(N2CCCCc3ccccc32)n1.
What is the InChIKey of 2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine?
The InChIKey is CAOFMBVCQCPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12(2)17-19-15(18)11-16(20-17)21-10-6-5-8-13-7-3-4-9-14(13)21/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine?
2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80959581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).