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

C26H28FN5O — CID 130201558

IUPAC8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc(F)cc3)nc1)C(=O)N2
InChIInChI=1S/C26H28FN5O/c1-31(2)26(20-6-4-3-5-7-20)14-12-25(13-15-26)18-32(24(33)30-25)22-16-28-23(29-17-22)19-8-10-21(27)11-9-19/h3-11,16-17H,12-15,18H2,1-2H3,(H,30,33)
InChIKeyQEUMQEFQEVLOHY-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.58
Rot. Bonds4

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

8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201558) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201558
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc(F)cc3)nc1)C(=O)N2
InChIInChI=1S/C26H28FN5O/c1-31(2)26(20-6-4-3-5-7-20)14-12-25(13-15-26)18-32(24(33)30-25)22-16-28-23(29-17-22)19-8-10-21(27)11-9-19/h3-11,16-17H,12-15,18H2,1-2H3,(H,30,33)
InChIKeyQEUMQEFQEVLOHY-UHFFFAOYSA-N
XLogP4.58
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201558) is 8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc(F)cc3)nc1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is QEUMQEFQEVLOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c1-31(2)26(20-6-4-3-5-7-20)14-12-25(13-15-26)18-32(24(33)30-25)22-16-28-23(29-17-22)19-8-10-21(27)11-9-19/h3-11,16-17H,12-15,18H2,1-2H3,(H,30,33).
What are the key properties of 8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 445.54 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).