9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H31N5O2 — CID 70765931

IUPAC9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(Cc1cnc(N(C)C)nc1)CC2
InChIInChI=1S/C19H31N5O2/c1-22(2)18-20-12-16(13-21-18)14-23-8-6-19(7-9-23)5-4-17(25)24(15-19)10-11-26-3/h12-13H,4-11,14-15H2,1-3H3
InChIKeyOIQWTOODEFEYAX-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.39
Rot. Bonds6

About 9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70765931) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70765931
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(Cc1cnc(N(C)C)nc1)CC2
InChIInChI=1S/C19H31N5O2/c1-22(2)18-20-12-16(13-21-18)14-23-8-6-19(7-9-23)5-4-17(25)24(15-19)10-11-26-3/h12-13H,4-11,14-15H2,1-3H3
InChIKeyOIQWTOODEFEYAX-UHFFFAOYSA-N
XLogP1.39
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-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 9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70765931) is 9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(Cc1cnc(N(C)C)nc1)CC2.
What is the InChIKey of 9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OIQWTOODEFEYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-22(2)18-20-12-16(13-21-18)14-23-8-6-19(7-9-23)5-4-17(25)24(15-19)10-11-26-3/h12-13H,4-11,14-15H2,1-3H3.
What are the key properties of 9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 361.49 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70765931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).