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

C20H24FN5O — CID 130201401

IUPAC8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncc(F)cn1)C(=O)N2
InChIInChI=1S/C20H24FN5O/c1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-26(18(27)24-19)17-22-12-16(21)13-23-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,24,27)
InChIKeyRHCBNUWMHYHMIS-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.92
Rot. Bonds3

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

8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201401) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201401
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncc(F)cn1)C(=O)N2
InChIInChI=1S/C20H24FN5O/c1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-26(18(27)24-19)17-22-12-16(21)13-23-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,24,27)
InChIKeyRHCBNUWMHYHMIS-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201401) is 8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncc(F)cn1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is RHCBNUWMHYHMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-26(18(27)24-19)17-22-12-16(21)13-23-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,24,27).
What are the key properties of 8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 369.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).