2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine

C14H10Cl2N4 — CID 16733520

IUPAC2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine
SMILESClc1nc(Cl)c2c(ncn2C2CCc3ccccc32)n1
InChIInChI=1S/C14H10Cl2N4/c15-12-11-13(19-14(16)18-12)17-7-20(11)10-6-5-8-3-1-2-4-9(8)10/h1-4,7,10H,5-6H2
InChIKeyCNIQUKDGHKGQIM-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.67
Rot. Bonds1

About 2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine

2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine (PubChem CID 16733520) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine.

Molecular Properties

Compound Name2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine
PubChem CID16733520
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine
SMILESClc1nc(Cl)c2c(ncn2C2CCc3ccccc32)n1
InChIInChI=1S/C14H10Cl2N4/c15-12-11-13(19-14(16)18-12)17-7-20(11)10-6-5-8-3-1-2-4-9(8)10/h1-4,7,10H,5-6H2
InChIKeyCNIQUKDGHKGQIM-UHFFFAOYSA-N
XLogP3.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)benzimidazole
CID 54576638
1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid
CID 59324919
1-(2,3-dihydro-1H-inden-1-yl)indole
CID 139228300
3-[(1S)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxylic acid
CID 129410334
1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine
CID 106562783
2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
CID 140627468
2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine
CID 16793666
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298
3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313864
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid
CID 66610575
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine?
The IUPAC name of 2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine (CID 16733520) is 2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine.
What is the SMILES notation for 2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine?
The canonical SMILES for 2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine is Clc1nc(Cl)c2c(ncn2C2CCc3ccccc32)n1.
What is the InChIKey of 2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine?
The InChIKey is CNIQUKDGHKGQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-12-11-13(19-14(16)18-12)17-7-20(11)10-6-5-8-3-1-2-4-9(8)10/h1-4,7,10H,5-6H2.
What are the key properties of 2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine?
2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine has a molecular weight of 305.17 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine is sourced from PubChem (CID 16733520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).