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

C20H24N4O3S — CID 71584055

IUPAC4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)(c1cc(N2CCOCC2)nc(-c2cccc3[nH]ccc23)n1)S(C)(=O)=O
InChIInChI=1S/C20H24N4O3S/c1-20(2,28(3,25)26)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-5-4-6-16-14(15)7-8-21-16/h4-8,13,21H,9-12H2,1-3H3
InChIKeyTYPBASYBSGLAOL-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.74
Rot. Bonds4

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

4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine (PubChem CID 71584055) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
PubChem CID71584055
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)(c1cc(N2CCOCC2)nc(-c2cccc3[nH]ccc23)n1)S(C)(=O)=O
InChIInChI=1S/C20H24N4O3S/c1-20(2,28(3,25)26)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-5-4-6-16-14(15)7-8-21-16/h4-8,13,21H,9-12H2,1-3H3
InChIKeyTYPBASYBSGLAOL-UHFFFAOYSA-N
XLogP2.74
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.74
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-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine (CID 71584055) is 4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine is CC(C)(c1cc(N2CCOCC2)nc(-c2cccc3[nH]ccc23)n1)S(C)(=O)=O.
What is the InChIKey of 4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine?
The InChIKey is TYPBASYBSGLAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-20(2,28(3,25)26)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-5-4-6-16-14(15)7-8-21-16/h4-8,13,21H,9-12H2,1-3H3.
What are the key properties of 4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine?
4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine has a molecular weight of 400.50 g/mol, XLogP of 2.74, 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-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 71584055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).