ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one

C18H21N3O2 — CID 143940500

IUPACethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCC.Cc1ncc(CC(=O)n2c(C)cc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C16H15N3O2.C2H6/c1-10-7-12-5-3-4-6-14(12)19(10)15(20)8-13-9-17-11(2)18-16(13)21;1-2/h3-7,9H,8H2,1-2H3,(H,17,18,21);1-2H3
InChIKeyAQGLVSXZUKNKDR-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.25
Rot. Bonds2

About ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one

ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one (PubChem CID 143940500) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one
PubChem CID143940500
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Nameethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCC.Cc1ncc(CC(=O)n2c(C)cc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C16H15N3O2.C2H6/c1-10-7-12-5-3-4-6-14(12)19(10)15(20)8-13-9-17-11(2)18-16(13)21;1-2/h3-7,9H,8H2,1-2H3,(H,17,18,21);1-2H3
InChIKeyAQGLVSXZUKNKDR-UHFFFAOYSA-N
XLogP3.25
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one?
The IUPAC name of ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one (CID 143940500) is ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one?
The canonical SMILES for ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one is CC.Cc1ncc(CC(=O)n2c(C)cc3ccccc32)c(=O)[nH]1.
What is the InChIKey of ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one?
The InChIKey is AQGLVSXZUKNKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2.C2H6/c1-10-7-12-5-3-4-6-14(12)19(10)15(20)8-13-9-17-11(2)18-16(13)21;1-2/h3-7,9H,8H2,1-2H3,(H,17,18,21);1-2H3.
What are the key properties of ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one?
ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one has a molecular weight of 311.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-[2-(2-methylindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 143940500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).