3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one

C16H24N4O3 — CID 56708447

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1cc(OC)nc(N2CCC3(CCNC(=O)CC3)CC2)n1
InChIInChI=1S/C16H24N4O3/c1-22-13-11-14(23-2)19-15(18-13)20-9-6-16(7-10-20)4-3-12(21)17-8-5-16/h11H,3-10H2,1-2H3,(H,17,21)
InChIKeyIHKMPTBKIMOQHH-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.38
Rot. Bonds3

About 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one

3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56708447) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56708447
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1cc(OC)nc(N2CCC3(CCNC(=O)CC3)CC2)n1
InChIInChI=1S/C16H24N4O3/c1-22-13-11-14(23-2)19-15(18-13)20-9-6-16(7-10-20)4-3-12(21)17-8-5-16/h11H,3-10H2,1-2H3,(H,17,21)
InChIKeyIHKMPTBKIMOQHH-UHFFFAOYSA-N
XLogP1.38
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 56708447) is 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is COc1cc(OC)nc(N2CCC3(CCNC(=O)CC3)CC2)n1.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is IHKMPTBKIMOQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-22-13-11-14(23-2)19-15(18-13)20-9-6-16(7-10-20)4-3-12(21)17-8-5-16/h11H,3-10H2,1-2H3,(H,17,21).
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 320.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56708447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).