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

C14H15ClN4 — CID 63155391

IUPAC4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCCc2ccccc2C1
InChIInChI=1S/C14H15ClN4/c15-13-12(16)14(18-9-17-13)19-7-3-6-10-4-1-2-5-11(10)8-19/h1-2,4-5,9H,3,6-8,16H2
InChIKeyMZJPWQQQNLMXJV-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.66
Rot. Bonds1

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

4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine (PubChem CID 63155391) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine
PubChem CID63155391
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCCc2ccccc2C1
InChIInChI=1S/C14H15ClN4/c15-13-12(16)14(18-9-17-13)19-7-3-6-10-4-1-2-5-11(10)8-19/h1-2,4-5,9H,3,6-8,16H2
InChIKeyMZJPWQQQNLMXJV-UHFFFAOYSA-N
XLogP2.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azocan-1-yl)-6-chloropyrimidin-5-amine
CID 62663067
6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80831853
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-4,5-diamine
CID 19135043
2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 63736280
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 19147429
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
CID 19147484
N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80830675
5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 80830671
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 23477613
[5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine
CID 80905373
2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66232998
4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline
CID 115468950

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine (CID 63155391) is 4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine is Nc1c(Cl)ncnc1N1CCCc2ccccc2C1.
What is the InChIKey of 4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine?
The InChIKey is MZJPWQQQNLMXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c15-13-12(16)14(18-9-17-13)19-7-3-6-10-4-1-2-5-11(10)8-19/h1-2,4-5,9H,3,6-8,16H2.
What are the key properties of 4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine?
4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine has a molecular weight of 274.75 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine is sourced from PubChem (CID 63155391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).