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

C14H16N4 — CID 116796836

IUPAC2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
SMILESNc1ccnc(N2CCCc3ccccc3C2)n1
InChIInChI=1S/C14H16N4/c15-13-7-8-16-14(17-13)18-9-3-6-11-4-1-2-5-12(11)10-18/h1-2,4-5,7-8H,3,6,9-10H2,(H2,15,16,17)
InChIKeyDGZSIAOQYHWFSU-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.01
Rot. Bonds1

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

2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine (PubChem CID 116796836) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
PubChem CID116796836
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
SMILESNc1ccnc(N2CCCc3ccccc3C2)n1
InChIInChI=1S/C14H16N4/c15-13-7-8-16-14(17-13)18-9-3-6-11-4-1-2-5-12(11)10-18/h1-2,4-5,7-8H,3,6,9-10H2,(H2,15,16,17)
InChIKeyDGZSIAOQYHWFSU-UHFFFAOYSA-N
XLogP2.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine (CID 116796836) is 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine is Nc1ccnc(N2CCCc3ccccc3C2)n1.
What is the InChIKey of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
The InChIKey is DGZSIAOQYHWFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-13-7-8-16-14(17-13)18-9-3-6-11-4-1-2-5-12(11)10-18/h1-2,4-5,7-8H,3,6,9-10H2,(H2,15,16,17).
What are the key properties of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine has a molecular weight of 240.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 116796836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).