2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one

C19H22N4O4 — CID 66883023

IUPAC2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
SMILESCn1c(CC(=O)N2CCc3c(O)cccc32)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C19H22N4O4/c1-21-16(20-17(12-18(21)25)22-7-9-27-10-8-22)11-19(26)23-6-5-13-14(23)3-2-4-15(13)24/h2-4,12,24H,5-11H2,1H3
InChIKeyHUUABEHPHBBJBG-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.45
Rot. Bonds3

About 2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one

2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one (PubChem CID 66883023) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
PubChem CID66883023
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
SMILESCn1c(CC(=O)N2CCc3c(O)cccc32)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C19H22N4O4/c1-21-16(20-17(12-18(21)25)22-7-9-27-10-8-22)11-19(26)23-6-5-13-14(23)3-2-4-15(13)24/h2-4,12,24H,5-11H2,1H3
InChIKeyHUUABEHPHBBJBG-UHFFFAOYSA-N
XLogP0.45
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one (CID 66883023) is 2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one is Cn1c(CC(=O)N2CCc3c(O)cccc32)nc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The InChIKey is HUUABEHPHBBJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-21-16(20-17(12-18(21)25)22-7-9-27-10-8-22)11-19(26)23-6-5-13-14(23)3-2-4-15(13)24/h2-4,12,24H,5-11H2,1H3.
What are the key properties of 2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one has a molecular weight of 370.41 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 66883023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).