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

C28H30N6O2 — CID 130200967

IUPAC8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc4c3CNC4=O)nc1)C(=O)N2
InChIInChI=1S/C28H30N6O2/c1-33(2)28(19-7-4-3-5-8-19)13-11-27(12-14-28)18-34(26(36)32-27)20-15-29-24(30-16-20)21-9-6-10-22-23(21)17-31-25(22)35/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyFWANFVCJUDYSTL-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.69
Rot. Bonds4

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

8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200967) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200967
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc4c3CNC4=O)nc1)C(=O)N2
InChIInChI=1S/C28H30N6O2/c1-33(2)28(19-7-4-3-5-8-19)13-11-27(12-14-28)18-34(26(36)32-27)20-15-29-24(30-16-20)21-9-6-10-22-23(21)17-31-25(22)35/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyFWANFVCJUDYSTL-UHFFFAOYSA-N
XLogP3.69
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200967) is 8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc4c3CNC4=O)nc1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is FWANFVCJUDYSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-33(2)28(19-7-4-3-5-8-19)13-11-27(12-14-28)18-34(26(36)32-27)20-15-29-24(30-16-20)21-9-6-10-22-23(21)17-31-25(22)35/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of 8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 482.59 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).