2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

C23H30N6O2 — CID 137407654

IUPAC2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCc1nc(N2CCOCC2)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O
InChIInChI=1S/C23H30N6O2/c1-17-19(13-24-20(25-17)28-9-11-31-12-10-28)29-16-22(26-21(29)30)14-23(15-22,27(2)3)18-7-5-4-6-8-18/h4-8,13H,9-12,14-16H2,1-3H3,(H,26,30)
InChIKeyLZXXZYWGQMYRDJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.14
Rot. Bonds4

About 2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 137407654) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
PubChem CID137407654
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCc1nc(N2CCOCC2)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O
InChIInChI=1S/C23H30N6O2/c1-17-19(13-24-20(25-17)28-9-11-31-12-10-28)29-16-22(26-21(29)30)14-23(15-22,27(2)3)18-7-5-4-6-8-18/h4-8,13H,9-12,14-16H2,1-3H3,(H,26,30)
InChIKeyLZXXZYWGQMYRDJ-UHFFFAOYSA-N
XLogP2.14
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (CID 137407654) is 2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is Cc1nc(N2CCOCC2)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.
What is the InChIKey of 2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is LZXXZYWGQMYRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-17-19(13-24-20(25-17)28-9-11-31-12-10-28)29-16-22(26-21(29)30)14-23(15-22,27(2)3)18-7-5-4-6-8-18/h4-8,13H,9-12,14-16H2,1-3H3,(H,26,30).
What are the key properties of 2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 422.53 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137407654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).