1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one

C16H17N3O — CID 86581051

IUPAC1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(C)C(=O)C3(C)C)cn1
InChIInChI=1S/C16H17N3O/c1-10-17-8-12(9-18-10)11-5-6-13-14(7-11)19(4)15(20)16(13,2)3/h5-9H,1-4H3
InChIKeyGJWIZGAKCBUPHF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.71
Rot. Bonds1

About 1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one

1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one (PubChem CID 86581051) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one
PubChem CID86581051
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(C)C(=O)C3(C)C)cn1
InChIInChI=1S/C16H17N3O/c1-10-17-8-12(9-18-10)11-5-6-13-14(7-11)19(4)15(20)16(13,2)3/h5-9H,1-4H3
InChIKeyGJWIZGAKCBUPHF-UHFFFAOYSA-N
XLogP2.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one?
The IUPAC name of 1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one (CID 86581051) is 1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one?
The canonical SMILES for 1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one is Cc1ncc(-c2ccc3c(c2)N(C)C(=O)C3(C)C)cn1.
What is the InChIKey of 1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one?
The InChIKey is GJWIZGAKCBUPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-17-8-12(9-18-10)11-5-6-13-14(7-11)19(4)15(20)16(13,2)3/h5-9H,1-4H3.
What are the key properties of 1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one?
1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one is sourced from PubChem (CID 86581051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).