3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one

C15H15N3O — CID 86580744

IUPAC3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one
SMILESCc1cc(-c2ccc3c(c2)NC(=O)C3(C)C)ncn1
InChIInChI=1S/C15H15N3O/c1-9-6-12(17-8-16-9)10-4-5-11-13(7-10)18-14(19)15(11,2)3/h4-8H,1-3H3,(H,18,19)
InChIKeyRPRPIVFYLACCQV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.68
Rot. Bonds1

About 3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one

3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one (PubChem CID 86580744) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one
PubChem CID86580744
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one
SMILESCc1cc(-c2ccc3c(c2)NC(=O)C3(C)C)ncn1
InChIInChI=1S/C15H15N3O/c1-9-6-12(17-8-16-9)10-4-5-11-13(7-10)18-14(19)15(11,2)3/h4-8H,1-3H3,(H,18,19)
InChIKeyRPRPIVFYLACCQV-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one (CID 86580744) is 3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one is Cc1cc(-c2ccc3c(c2)NC(=O)C3(C)C)ncn1.
What is the InChIKey of 3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one?
The InChIKey is RPRPIVFYLACCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-6-12(17-8-16-9)10-4-5-11-13(7-10)18-14(19)15(11,2)3/h4-8H,1-3H3,(H,18,19).
What are the key properties of 3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one?
3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(6-methylpyrimidin-4-yl)-1H-indol-2-one is sourced from PubChem (CID 86580744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).