8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C20H24N4O3 — CID 17391753

IUPAC8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(Cc1cc(=O)n3ccc(C)cc3n1)C2=O
InChIInChI=1S/C20H24N4O3/c1-3-14-4-7-20(8-5-14)18(26)24(19(27)22-20)12-15-11-17(25)23-9-6-13(2)10-16(23)21-15/h6,9-11,14H,3-5,7-8,12H2,1-2H3,(H,22,27)
InChIKeyDSWTWBSNMYKZRU-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.39
Rot. Bonds3

About 8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 17391753) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID17391753
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(Cc1cc(=O)n3ccc(C)cc3n1)C2=O
InChIInChI=1S/C20H24N4O3/c1-3-14-4-7-20(8-5-14)18(26)24(19(27)22-20)12-15-11-17(25)23-9-6-13(2)10-16(23)21-15/h6,9-11,14H,3-5,7-8,12H2,1-2H3,(H,22,27)
InChIKeyDSWTWBSNMYKZRU-UHFFFAOYSA-N
XLogP2.39
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 17391753) is 8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1CCC2(CC1)NC(=O)N(Cc1cc(=O)n3ccc(C)cc3n1)C2=O.
What is the InChIKey of 8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is DSWTWBSNMYKZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-14-4-7-20(8-5-14)18(26)24(19(27)22-20)12-15-11-17(25)23-9-6-13(2)10-16(23)21-15/h6,9-11,14H,3-5,7-8,12H2,1-2H3,(H,22,27).
What are the key properties of 8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 368.44 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 17391753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).