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

C26H36N6O2 — CID 155183055

IUPAC8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCC1CC(Nc2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CCO1
InChIInChI=1S/C26H36N6O2/c1-19-15-21(9-14-34-19)29-23-27-16-22(17-28-23)32-18-25(30-24(32)33)10-12-26(13-11-25,31(2)3)20-7-5-4-6-8-20/h4-8,16-17,19,21H,9-15,18H2,1-3H3,(H,30,33)(H,27,28,29)
InChIKeyMYIGSKIRKPENPH-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.76
Rot. Bonds5

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

8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 155183055) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID155183055
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCC1CC(Nc2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CCO1
InChIInChI=1S/C26H36N6O2/c1-19-15-21(9-14-34-19)29-23-27-16-22(17-28-23)32-18-25(30-24(32)33)10-12-26(13-11-25,31(2)3)20-7-5-4-6-8-20/h4-8,16-17,19,21H,9-15,18H2,1-3H3,(H,30,33)(H,27,28,29)
InChIKeyMYIGSKIRKPENPH-UHFFFAOYSA-N
XLogP3.76
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.76
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-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 155183055) is 8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CC1CC(Nc2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CCO1.
What is the InChIKey of 8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is MYIGSKIRKPENPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-19-15-21(9-14-34-19)29-23-27-16-22(17-28-23)32-18-25(30-24(32)33)10-12-26(13-11-25,31(2)3)20-7-5-4-6-8-20/h4-8,16-17,19,21H,9-15,18H2,1-3H3,(H,30,33)(H,27,28,29).
What are the key properties of 8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 464.61 g/mol, XLogP of 3.76, 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-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155183055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).