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

C25H34N6O2 — CID 130201428

IUPAC8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(NC3CCOCC3)nc1)C(=O)N2
InChIInChI=1S/C25H34N6O2/c1-30(2)25(19-6-4-3-5-7-19)12-10-24(11-13-25)18-31(23(32)29-24)21-16-26-22(27-17-21)28-20-8-14-33-15-9-20/h3-7,16-17,20H,8-15,18H2,1-2H3,(H,29,32)(H,26,27,28)
InChIKeyPNNTXJDGSDVCGO-UHFFFAOYSA-N
MW450.59 g/mol
LogP3.37
Rot. Bonds5

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

8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201428) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201428
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(NC3CCOCC3)nc1)C(=O)N2
InChIInChI=1S/C25H34N6O2/c1-30(2)25(19-6-4-3-5-7-19)12-10-24(11-13-25)18-31(23(32)29-24)21-16-26-22(27-17-21)28-20-8-14-33-15-9-20/h3-7,16-17,20H,8-15,18H2,1-2H3,(H,29,32)(H,26,27,28)
InChIKeyPNNTXJDGSDVCGO-UHFFFAOYSA-N
XLogP3.37
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201428) is 8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(NC3CCOCC3)nc1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is PNNTXJDGSDVCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-30(2)25(19-6-4-3-5-7-19)12-10-24(11-13-25)18-31(23(32)29-24)21-16-26-22(27-17-21)28-20-8-14-33-15-9-20/h3-7,16-17,20H,8-15,18H2,1-2H3,(H,29,32)(H,26,27,28).
What are the key properties of 8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 450.59 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(oxan-4-ylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).