8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C20H28N6O2 — CID 72837459

IUPAC8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1noc(C)c1CN1CC2(CCN(c3cc(N(C)C)ncn3)CC2)CC1=O
InChIInChI=1S/C20H28N6O2/c1-14-16(15(2)28-23-14)11-26-12-20(10-19(26)27)5-7-25(8-6-20)18-9-17(24(3)4)21-13-22-18/h9,13H,5-8,10-12H2,1-4H3
InChIKeyIXPVKTOPYPZFDR-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.17
Rot. Bonds4

About 8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72837459) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72837459
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1noc(C)c1CN1CC2(CCN(c3cc(N(C)C)ncn3)CC2)CC1=O
InChIInChI=1S/C20H28N6O2/c1-14-16(15(2)28-23-14)11-26-12-20(10-19(26)27)5-7-25(8-6-20)18-9-17(24(3)4)21-13-22-18/h9,13H,5-8,10-12H2,1-4H3
InChIKeyIXPVKTOPYPZFDR-UHFFFAOYSA-N
XLogP2.17
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72837459) is 8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1noc(C)c1CN1CC2(CCN(c3cc(N(C)C)ncn3)CC2)CC1=O.
What is the InChIKey of 8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is IXPVKTOPYPZFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-14-16(15(2)28-23-14)11-26-12-20(10-19(26)27)5-7-25(8-6-20)18-9-17(24(3)4)21-13-22-18/h9,13H,5-8,10-12H2,1-4H3.
What are the key properties of 8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 384.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72837459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).