3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C26H27F2N5O — CID 130201229

IUPAC3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc(F)c(F)c3)nc1)C(=O)N2
InChIInChI=1S/C26H27F2N5O/c1-32(2)26(19-6-4-3-5-7-19)12-10-25(11-13-26)17-33(24(34)31-25)20-15-29-23(30-16-20)18-8-9-21(27)22(28)14-18/h3-9,14-16H,10-13,17H2,1-2H3,(H,31,34)
InChIKeyKIWWMLBEXMMCDQ-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.72
Rot. Bonds4

About 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201229) has the molecular formula C26H27F2N5O and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201229
Molecular FormulaC26H27F2N5O
Molecular Weight463.53 g/mol
Exact Mass463.22
IUPAC Name3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc(F)c(F)c3)nc1)C(=O)N2
InChIInChI=1S/C26H27F2N5O/c1-32(2)26(19-6-4-3-5-7-19)12-10-25(11-13-26)17-33(24(34)31-25)20-15-29-23(30-16-20)18-8-9-21(27)22(28)14-18/h3-9,14-16H,10-13,17H2,1-2H3,(H,31,34)
InChIKeyKIWWMLBEXMMCDQ-UHFFFAOYSA-N
XLogP4.72
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201229) is 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc(F)c(F)c3)nc1)C(=O)N2.
What is the InChIKey of 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is KIWWMLBEXMMCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O/c1-32(2)26(19-6-4-3-5-7-19)12-10-25(11-13-26)17-33(24(34)31-25)20-15-29-23(30-16-20)18-8-9-21(27)22(28)14-18/h3-9,14-16H,10-13,17H2,1-2H3,(H,31,34).
What are the key properties of 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 463.53 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).