4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine

C18H20N4O3S — CID 23585071

IUPAC4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C18H20N4O3S/c1-26(23,24)12-15-11-17(22-6-8-25-9-7-22)21-18(20-15)14-2-3-16-13(10-14)4-5-19-16/h2-5,10-11,19H,6-9,12H2,1H3
InChIKeyCGCKKFFDYBVAMW-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.01
Rot. Bonds4

About 4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine

4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine (PubChem CID 23585071) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
PubChem CID23585071
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C18H20N4O3S/c1-26(23,24)12-15-11-17(22-6-8-25-9-7-22)21-18(20-15)14-2-3-16-13(10-14)4-5-19-16/h2-5,10-11,19H,6-9,12H2,1H3
InChIKeyCGCKKFFDYBVAMW-UHFFFAOYSA-N
XLogP2.01
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine (CID 23585071) is 4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine is CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc3[nH]ccc3c2)n1.
What is the InChIKey of 4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
The InChIKey is CGCKKFFDYBVAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-26(23,24)12-15-11-17(22-6-8-25-9-7-22)21-18(20-15)14-2-3-16-13(10-14)4-5-19-16/h2-5,10-11,19H,6-9,12H2,1H3.
What are the key properties of 4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine has a molecular weight of 372.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 23585071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).