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

C14H15N3 — CID 121020744

IUPAC2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole
SMILESCc1cc(N2Cc3ccccc3C2)nc(C)n1
InChIInChI=1S/C14H15N3/c1-10-7-14(16-11(2)15-10)17-8-12-5-3-4-6-13(12)9-17/h3-7H,8-9H2,1-2H3
InChIKeyBPSCFRFHXZYKRQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.61
Rot. Bonds1

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

2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole (PubChem CID 121020744) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole
PubChem CID121020744
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole
SMILESCc1cc(N2Cc3ccccc3C2)nc(C)n1
InChIInChI=1S/C14H15N3/c1-10-7-14(16-11(2)15-10)17-8-12-5-3-4-6-13(12)9-17/h3-7H,8-9H2,1-2H3
InChIKeyBPSCFRFHXZYKRQ-UHFFFAOYSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole (CID 121020744) is 2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole is Cc1cc(N2Cc3ccccc3C2)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole?
The InChIKey is BPSCFRFHXZYKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-7-14(16-11(2)15-10)17-8-12-5-3-4-6-13(12)9-17/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole?
2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole has a molecular weight of 225.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)-1,3-dihydroisoindole is sourced from PubChem (CID 121020744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).