3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one

C23H24N6O2 — CID 129104149

IUPAC3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2nccc(N4CCOCC4)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H24N6O2/c1-15-25-13-17(14-26-15)16-4-5-18-19(12-16)29(21(30)23(18,2)3)22-24-7-6-20(27-22)28-8-10-31-11-9-28/h4-7,12-14H,8-11H2,1-3H3
InChIKeyFLBCXONXVFHNGV-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.03
Rot. Bonds3

About 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one

3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one (PubChem CID 129104149) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one
PubChem CID129104149
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2nccc(N4CCOCC4)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H24N6O2/c1-15-25-13-17(14-26-15)16-4-5-18-19(12-16)29(21(30)23(18,2)3)22-24-7-6-20(27-22)28-8-10-31-11-9-28/h4-7,12-14H,8-11H2,1-3H3
InChIKeyFLBCXONXVFHNGV-UHFFFAOYSA-N
XLogP3.03
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one?
The IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one (CID 129104149) is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one is Cc1ncc(-c2ccc3c(c2)N(c2nccc(N4CCOCC4)n2)C(=O)C3(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one?
The InChIKey is FLBCXONXVFHNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-25-13-17(14-26-15)16-4-5-18-19(12-16)29(21(30)23(18,2)3)22-24-7-6-20(27-22)28-8-10-31-11-9-28/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one?
3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one has a molecular weight of 416.49 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one is sourced from PubChem (CID 129104149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).