5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole

C14H13N3O2S — CID 135203674

IUPAC5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole
SMILESCOc1ccc2c(ccn2-c2ccnc(S(C)=O)n2)c1
InChIInChI=1S/C14H13N3O2S/c1-19-11-3-4-12-10(9-11)6-8-17(12)13-5-7-15-14(16-13)20(2)18/h3-9H,1-2H3
InChIKeyZKGHWSJCRSTQSE-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.17
Rot. Bonds3

About 5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole

5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole (PubChem CID 135203674) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole.

Molecular Properties

Compound Name5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole
PubChem CID135203674
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole
SMILESCOc1ccc2c(ccn2-c2ccnc(S(C)=O)n2)c1
InChIInChI=1S/C14H13N3O2S/c1-19-11-3-4-12-10(9-11)6-8-17(12)13-5-7-15-14(16-13)20(2)18/h3-9H,1-2H3
InChIKeyZKGHWSJCRSTQSE-UHFFFAOYSA-N
XLogP2.17
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine
CID 162717927
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CID 162514100
4-bromo-1-(2-methylsulfinylpyrimidin-4-yl)indole
CID 67434315
1-N-[2-(dimethylamino)ethyl]-5-methoxy-4-N-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine
CID 153494787
methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate
CID 177163804
5-methoxyindole-1-carboxylic acid
CID 68566461
6-(5-methoxyindol-1-yl)-2,1-benzoxazole
CID 152663892
5-methoxy-1-methylindole
CID 819864
2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282497
(2R)-2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282498
5-methoxy-1-(4-methylpentan-2-yl)indole
CID 102339927
5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole
CID 116619426

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole?
The IUPAC name of 5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole (CID 135203674) is 5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole.
What is the SMILES notation for 5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole?
The canonical SMILES for 5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole is COc1ccc2c(ccn2-c2ccnc(S(C)=O)n2)c1.
What is the InChIKey of 5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole?
The InChIKey is ZKGHWSJCRSTQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-11-3-4-12-10(9-11)6-8-17(12)13-5-7-15-14(16-13)20(2)18/h3-9H,1-2H3.
What are the key properties of 5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole?
5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole has a molecular weight of 287.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole is sourced from PubChem (CID 135203674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).