8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one

C26H29N5O — CID 130201435

IUPAC8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccccc3)nc1)C(=O)N2
InChIInChI=1S/C26H29N5O/c1-30(2)26(21-11-7-4-8-12-21)15-13-25(14-16-26)19-31(24(32)29-25)22-17-27-23(28-18-22)20-9-5-3-6-10-20/h3-12,17-18H,13-16,19H2,1-2H3,(H,29,32)
InChIKeyBRNPHTXNAJXNDF-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.44
Rot. Bonds4

About 8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201435) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201435
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccccc3)nc1)C(=O)N2
InChIInChI=1S/C26H29N5O/c1-30(2)26(21-11-7-4-8-12-21)15-13-25(14-16-26)19-31(24(32)29-25)22-17-27-23(28-18-22)20-9-5-3-6-10-20/h3-12,17-18H,13-16,19H2,1-2H3,(H,29,32)
InChIKeyBRNPHTXNAJXNDF-UHFFFAOYSA-N
XLogP4.44
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one (CID 130201435) is 8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccccc3)nc1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is BRNPHTXNAJXNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-30(2)26(21-11-7-4-8-12-21)15-13-25(14-16-26)19-31(24(32)29-25)22-17-27-23(28-18-22)20-9-5-3-6-10-20/h3-12,17-18H,13-16,19H2,1-2H3,(H,29,32).
What are the key properties of 8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 427.55 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).