8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C24H32N6O2 — CID 130201522

IUPAC8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccnc(N3CCOCC3)n1)C(=O)N2
InChIInChI=1S/C24H32N6O2/c1-28(2)24(19-6-4-3-5-7-19)11-9-23(10-12-24)18-30(22(31)27-23)20-8-13-25-21(26-20)29-14-16-32-17-15-29/h3-8,13H,9-12,14-18H2,1-2H3,(H,27,31)
InChIKeyNMQZRSJWXWYOII-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.61
Rot. Bonds4

About 8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201522) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201522
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccnc(N3CCOCC3)n1)C(=O)N2
InChIInChI=1S/C24H32N6O2/c1-28(2)24(19-6-4-3-5-7-19)11-9-23(10-12-24)18-30(22(31)27-23)20-8-13-25-21(26-20)29-14-16-32-17-15-29/h3-8,13H,9-12,14-18H2,1-2H3,(H,27,31)
InChIKeyNMQZRSJWXWYOII-UHFFFAOYSA-N
XLogP2.61
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201522) is 8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccnc(N3CCOCC3)n1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is NMQZRSJWXWYOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-28(2)24(19-6-4-3-5-7-19)11-9-23(10-12-24)18-30(22(31)27-23)20-8-13-25-21(26-20)29-14-16-32-17-15-29/h3-8,13H,9-12,14-18H2,1-2H3,(H,27,31).
What are the key properties of 8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 436.56 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).