5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

C17H22N4O4 — CID 16845076

IUPAC5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cnc2c(c1N1CCC3(CC1)OCCO3)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H22N4O4/c1-11-10-18-14-12(15(22)20(3)16(23)19(14)2)13(11)21-6-4-17(5-7-21)24-8-9-25-17/h10H,4-9H2,1-3H3
InChIKeyILSHMHVFKZLRMG-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.28
Rot. Bonds1

About 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845076) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845076
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cnc2c(c1N1CCC3(CC1)OCCO3)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H22N4O4/c1-11-10-18-14-12(15(22)20(3)16(23)19(14)2)13(11)21-6-4-17(5-7-21)24-8-9-25-17/h10H,4-9H2,1-3H3
InChIKeyILSHMHVFKZLRMG-UHFFFAOYSA-N
XLogP0.28
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 16845076) is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cc1cnc2c(c1N1CCC3(CC1)OCCO3)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ILSHMHVFKZLRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11-10-18-14-12(15(22)20(3)16(23)19(14)2)13(11)21-6-4-17(5-7-21)24-8-9-25-17/h10H,4-9H2,1-3H3.
What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 346.39 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).