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

C18H20N4O3S — CID 58137106

IUPAC4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2cccc3[nH]ccc23)n1
InChIInChI=1S/C18H20N4O3S/c1-26(23,24)12-13-11-17(22-7-9-25-10-8-22)21-18(20-13)15-3-2-4-16-14(15)5-6-19-16/h2-6,11,19H,7-10,12H2,1H3
InChIKeyYXULRTVZRGHXHN-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.01
Rot. Bonds4

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

4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine (PubChem CID 58137106) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
PubChem CID58137106
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2cccc3[nH]ccc23)n1
InChIInChI=1S/C18H20N4O3S/c1-26(23,24)12-13-11-17(22-7-9-25-10-8-22)21-18(20-13)15-3-2-4-16-14(15)5-6-19-16/h2-6,11,19H,7-10,12H2,1H3
InChIKeyYXULRTVZRGHXHN-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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Related Compounds

4-[2-(1H-indol-4-yl)-6-(1-methylsulfinylcyclopropyl)pyrimidin-4-yl]morpholine
CID 142469063
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile
CID 25098228
N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 25097953
N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
CID 67189129
imino-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxan-4-yl]-methyl-oxo-λ6-sulfane
CID 54762020
4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide
CID 71584420
(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406154
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylmethanesulfonamide
CID 155568452
4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide
CID 71721536
2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
CID 25168049
N-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 25097952

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine (CID 58137106) is 4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine is CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2cccc3[nH]ccc23)n1.
What is the InChIKey of 4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
The InChIKey is YXULRTVZRGHXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-26(23,24)12-13-11-17(22-7-9-25-10-8-22)21-18(20-13)15-3-2-4-16-14(15)5-6-19-16/h2-6,11,19H,7-10,12H2,1H3.
What are the key properties of 4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
4-[2-(1H-indol-4-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-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 58137106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).