9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine

C19H16ClN3 — CID 129028730

IUPAC9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine
SMILESC=Cc1ccc2c(Cl)c3c(nc2c1)CC(c1ccncn1)CC3
InChIInChI=1S/C19H16ClN3/c1-2-12-3-5-14-17(9-12)23-18-10-13(4-6-15(18)19(14)20)16-7-8-21-11-22-16/h2-3,5,7-9,11,13H,1,4,6,10H2
InChIKeyJXNJGZXEGWSILZ-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.59
Rot. Bonds2

About 9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine

9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine (PubChem CID 129028730) has the molecular formula C19H16ClN3 and a molecular weight of 321.81 g/mol. Its IUPAC name is 9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine
PubChem CID129028730
Molecular FormulaC19H16ClN3
Molecular Weight321.81 g/mol
Exact Mass321.10
IUPAC Name9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine
SMILESC=Cc1ccc2c(Cl)c3c(nc2c1)CC(c1ccncn1)CC3
InChIInChI=1S/C19H16ClN3/c1-2-12-3-5-14-17(9-12)23-18-10-13(4-6-15(18)19(14)20)16-7-8-21-11-22-16/h2-3,5,7-9,11,13H,1,4,6,10H2
InChIKeyJXNJGZXEGWSILZ-UHFFFAOYSA-N
XLogP4.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine
CID 145292701
4-chloro-2-cyclopropyl-7-ethenylquinoline
CID 129029227
4-[9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-3-yl]pyridine-2-carbonitrile
CID 145292539
4-(4-chloro-7-ethenylquinolin-2-yl)aniline
CID 145292607
4-chloro-7-ethenyl-3-methyl-2-(4-methylphenyl)quinoline
CID 145292362
4-[(3R)-pyrrolidin-3-yl]pyrimidine
CID 129369776
4-(2,3-dihydro-1H-inden-2-yl)pyrimidine
CID 57016788
4-pyrazolidin-4-ylpyrimidine
CID 71650386
4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline
CID 145292318
4-[1-(2-ethenylsulfonylethyl)piperidin-4-yl]pyrimidine
CID 167958361
5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine
CID 129029246
4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine
CID 113390238

Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine?
The IUPAC name of 9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine (CID 129028730) is 9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine is C=Cc1ccc2c(Cl)c3c(nc2c1)CC(c1ccncn1)CC3.
What is the InChIKey of 9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine?
The InChIKey is JXNJGZXEGWSILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3/c1-2-12-3-5-14-17(9-12)23-18-10-13(4-6-15(18)19(14)20)16-7-8-21-11-22-16/h2-3,5,7-9,11,13H,1,4,6,10H2.
What are the key properties of 9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine?
9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine has a molecular weight of 321.81 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-ethenyl-3-pyrimidin-4-yl-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 129028730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).