2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole

C12H10ClN3 — CID 22309526

IUPAC2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole
SMILESClc1cc(N2Cc3ccccc3C2)ncn1
InChIInChI=1S/C12H10ClN3/c13-11-5-12(15-8-14-11)16-6-9-3-1-2-4-10(9)7-16/h1-5,8H,6-7H2
InChIKeyRFQACCHNMZCSDS-UHFFFAOYSA-N
MW231.69 g/mol
LogP2.65
Rot. Bonds1

About 2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole

2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole (PubChem CID 22309526) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole
PubChem CID22309526
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole
SMILESClc1cc(N2Cc3ccccc3C2)ncn1
InChIInChI=1S/C12H10ClN3/c13-11-5-12(15-8-14-11)16-6-9-3-1-2-4-10(9)7-16/h1-5,8H,6-7H2
InChIKeyRFQACCHNMZCSDS-UHFFFAOYSA-N
XLogP2.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-chloropyrimidin-4-amine
CID 3771857
4-Chloro-2-phenylpyrimidine
CID 259157
N~4~-benzyl-6-chloro-N~4~-methyl-2,4-pyrimidinediamine
CID 1481936
4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24798596
7-Chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144460
2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine
CID 3233677
2-Pyrimidin-2-ylisoindolin-1-imine
CID 4983108
N-(2-amino-6-chloro-4-pyrimidinyl)-N-phenethylamine
CID 1484521
N*4*-Benzyl-6-chloro-pyrimidine-2,4-diamine
CID 1484270
4-Chloro-2-(3-fluorophenyl)pyrimidine
CID 599729
2-Benzyl-4,6-dichloropyrimidine
CID 2775259
6-Chloro-5-phenyl-pyrimidin-4-ylamine
CID 4407476

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole (CID 22309526) is 2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole is Clc1cc(N2Cc3ccccc3C2)ncn1.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole?
The InChIKey is RFQACCHNMZCSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c13-11-5-12(15-8-14-11)16-6-9-3-1-2-4-10(9)7-16/h1-5,8H,6-7H2.
What are the key properties of 2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole?
2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole has a molecular weight of 231.69 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole is sourced from PubChem (CID 22309526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).