4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine

C19H22N4O3S — CID 71584054

IUPAC4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
SMILESCn1ccc2c(-c3nc(CS(C)(=O)=O)cc(N4CCOCC4)n3)cccc21
InChIInChI=1S/C19H22N4O3S/c1-22-7-6-15-16(4-3-5-17(15)22)19-20-14(13-27(2,24)25)12-18(21-19)23-8-10-26-11-9-23/h3-7,12H,8-11,13H2,1-2H3
InChIKeyVQZZCUQFESPTMT-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.02
Rot. Bonds4

About 4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine

4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine (PubChem CID 71584054) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
PubChem CID71584054
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
SMILESCn1ccc2c(-c3nc(CS(C)(=O)=O)cc(N4CCOCC4)n3)cccc21
InChIInChI=1S/C19H22N4O3S/c1-22-7-6-15-16(4-3-5-17(15)22)19-20-14(13-27(2,24)25)12-18(21-19)23-8-10-26-11-9-23/h3-7,12H,8-11,13H2,1-2H3
InChIKeyVQZZCUQFESPTMT-UHFFFAOYSA-N
XLogP2.02
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine (CID 71584054) is 4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine is Cn1ccc2c(-c3nc(CS(C)(=O)=O)cc(N4CCOCC4)n3)cccc21.
What is the InChIKey of 4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
The InChIKey is VQZZCUQFESPTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-22-7-6-15-16(4-3-5-17(15)22)19-20-14(13-27(2,24)25)12-18(21-19)23-8-10-26-11-9-23/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of 4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine has a molecular weight of 386.48 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylindol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 71584054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).