4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine

C17H17ClN4OS — CID 87344835

IUPAC4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine
SMILESCSc1c(Cl)nc(-c2ccc3[nH]ccc3c2)nc1N1CCOCC1
InChIInChI=1S/C17H17ClN4OS/c1-24-14-15(18)20-16(21-17(14)22-6-8-23-9-7-22)12-2-3-13-11(10-12)4-5-19-13/h2-5,10,19H,6-9H2,1H3
InChIKeyGSOXCGIOYVYKRP-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.84
Rot. Bonds3

About 4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine

4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine (PubChem CID 87344835) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is 4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine
PubChem CID87344835
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine
SMILESCSc1c(Cl)nc(-c2ccc3[nH]ccc3c2)nc1N1CCOCC1
InChIInChI=1S/C17H17ClN4OS/c1-24-14-15(18)20-16(21-17(14)22-6-8-23-9-7-22)12-2-3-13-11(10-12)4-5-19-13/h2-5,10,19H,6-9H2,1H3
InChIKeyGSOXCGIOYVYKRP-UHFFFAOYSA-N
XLogP3.84
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine (CID 87344835) is 4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine is CSc1c(Cl)nc(-c2ccc3[nH]ccc3c2)nc1N1CCOCC1.
What is the InChIKey of 4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine?
The InChIKey is GSOXCGIOYVYKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c1-24-14-15(18)20-16(21-17(14)22-6-8-23-9-7-22)12-2-3-13-11(10-12)4-5-19-13/h2-5,10,19H,6-9H2,1H3.
What are the key properties of 4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine?
4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine has a molecular weight of 360.87 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 87344835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).