[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone

C16H24N4O2 — CID 91922307

IUPAC[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
SMILESCOCC1CN(C)CC12CCN(C(=O)c1ccncn1)CC2
InChIInChI=1S/C16H24N4O2/c1-19-9-13(10-22-2)16(11-19)4-7-20(8-5-16)15(21)14-3-6-17-12-18-14/h3,6,12-13H,4-5,7-11H2,1-2H3
InChIKeyGRECYELRSQOFSW-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.91
Rot. Bonds3

About [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone

[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone (PubChem CID 91922307) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
PubChem CID91922307
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
SMILESCOCC1CN(C)CC12CCN(C(=O)c1ccncn1)CC2
InChIInChI=1S/C16H24N4O2/c1-19-9-13(10-22-2)16(11-19)4-7-20(8-5-16)15(21)14-3-6-17-12-18-14/h3,6,12-13H,4-5,7-11H2,1-2H3
InChIKeyGRECYELRSQOFSW-UHFFFAOYSA-N
XLogP0.91
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone 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 [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone (CID 91922307) is [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone is COCC1CN(C)CC12CCN(C(=O)c1ccncn1)CC2.
What is the InChIKey of [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone?
The InChIKey is GRECYELRSQOFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-9-13(10-22-2)16(11-19)4-7-20(8-5-16)15(21)14-3-6-17-12-18-14/h3,6,12-13H,4-5,7-11H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone?
[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 91922307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).