6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole

C14H15N3 — CID 59435381

IUPAC6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
SMILESCc1ncnc(C)c1-c1ccc2c(c1)NCC2
InChIInChI=1S/C14H15N3/c1-9-14(10(2)17-8-16-9)12-4-3-11-5-6-15-13(11)7-12/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyIUQUWQAPPTYKIY-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.73
Rot. Bonds1

About 6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole

6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole (PubChem CID 59435381) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
PubChem CID59435381
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
SMILESCc1ncnc(C)c1-c1ccc2c(c1)NCC2
InChIInChI=1S/C14H15N3/c1-9-14(10(2)17-8-16-9)12-4-3-11-5-6-15-13(11)7-12/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyIUQUWQAPPTYKIY-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole (CID 59435381) is 6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole is Cc1ncnc(C)c1-c1ccc2c(c1)NCC2.
What is the InChIKey of 6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole?
The InChIKey is IUQUWQAPPTYKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-9-14(10(2)17-8-16-9)12-4-3-11-5-6-15-13(11)7-12/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole?
6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole has a molecular weight of 225.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 59435381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).