N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C14H16N4 — CID 107588061

IUPACN-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2Nc1cncnc1
InChIInChI=1S/C14H16N4/c1-2-4-13-11(3-1)7-15-6-5-14(13)18-12-8-16-10-17-9-12/h1-4,8-10,14-15,18H,5-7H2
InChIKeyFRPJPWVFUWIJFQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.12
Rot. Bonds2

About N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 107588061) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID107588061
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2Nc1cncnc1
InChIInChI=1S/C14H16N4/c1-2-4-13-11(3-1)7-15-6-5-14(13)18-12-8-16-10-17-9-12/h1-4,8-10,14-15,18H,5-7H2
InChIKeyFRPJPWVFUWIJFQ-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980336
N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361432
N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982407
N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980315
N-(3-bromophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980512
N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980493
N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981456
N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982414
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517
N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine
CID 103982417
2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide
CID 103981186
N-(4-bromo-2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980862

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 107588061) is N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is c1ccc2c(c1)CNCCC2Nc1cncnc1.
What is the InChIKey of N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is FRPJPWVFUWIJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-4-13-11(3-1)7-15-6-5-14(13)18-12-8-16-10-17-9-12/h1-4,8-10,14-15,18H,5-7H2.
What are the key properties of N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 240.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 107588061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).