8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

C25H30F3N5O2 — CID 130201054

IUPAC8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C25H30F3N5O2/c1-32(15-18-7-12-35-16-18)24(19-5-3-2-4-6-19)10-8-23(9-11-24)17-33(22(34)31-23)20-13-29-21(30-14-20)25(26,27)28/h2-6,13-14,18H,7-12,15-17H2,1H3,(H,31,34)
InChIKeyMEKPLZGVNVGOOQ-UHFFFAOYSA-N
MW489.54 g/mol
LogP4.20
Rot. Bonds5

About 8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201054) has the molecular formula C25H30F3N5O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is 8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201054
Molecular FormulaC25H30F3N5O2
Molecular Weight489.54 g/mol
Exact Mass489.24
IUPAC Name8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C25H30F3N5O2/c1-32(15-18-7-12-35-16-18)24(19-5-3-2-4-6-19)10-8-23(9-11-24)17-33(22(34)31-23)20-13-29-21(30-14-20)25(26,27)28/h2-6,13-14,18H,7-12,15-17H2,1H3,(H,31,34)
InChIKeyMEKPLZGVNVGOOQ-UHFFFAOYSA-N
XLogP4.20
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (CID 130201054) is 8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.
What is the InChIKey of 8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is MEKPLZGVNVGOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O2/c1-32(15-18-7-12-35-16-18)24(19-5-3-2-4-6-19)10-8-23(9-11-24)17-33(22(34)31-23)20-13-29-21(30-14-20)25(26,27)28/h2-6,13-14,18H,7-12,15-17H2,1H3,(H,31,34).
What are the key properties of 8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 489.54 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).