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

C14H15BrN4 — CID 116796835

IUPAC6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
SMILESNc1cc(Br)nc(N2CCCc3ccccc3C2)n1
InChIInChI=1S/C14H15BrN4/c15-12-8-13(16)18-14(17-12)19-7-3-6-10-4-1-2-5-11(10)9-19/h1-2,4-5,8H,3,6-7,9H2,(H2,16,17,18)
InChIKeyAYNDPHWJZDWEEA-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.77
Rot. Bonds1

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

6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine (PubChem CID 116796835) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
PubChem CID116796835
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
SMILESNc1cc(Br)nc(N2CCCc3ccccc3C2)n1
InChIInChI=1S/C14H15BrN4/c15-12-8-13(16)18-14(17-12)19-7-3-6-10-4-1-2-5-11(10)9-19/h1-2,4-5,8H,3,6-7,9H2,(H2,16,17,18)
InChIKeyAYNDPHWJZDWEEA-UHFFFAOYSA-N
XLogP2.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 116796836
3-bromo-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline
CID 63152740
6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 116796173
6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80831853
5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine
CID 80652652
4-bromo-5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline
CID 116735912
4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 78948022
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746
6-bromo-2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 116796465
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
CID 18326759
2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 112909262
2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80830834

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine (CID 116796835) is 6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine is Nc1cc(Br)nc(N2CCCc3ccccc3C2)n1.
What is the InChIKey of 6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
The InChIKey is AYNDPHWJZDWEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c15-12-8-13(16)18-14(17-12)19-7-3-6-10-4-1-2-5-11(10)9-19/h1-2,4-5,8H,3,6-7,9H2,(H2,16,17,18).
What are the key properties of 6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine has a molecular weight of 319.21 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 116796835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).