9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one

C16H23N5O4 — CID 56743487

IUPAC9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOc1cc(C(=O)N2CCC3(CC2)C(=O)NCCN3C)nc(OC)n1
InChIInChI=1S/C16H23N5O4/c1-20-9-6-17-14(23)16(20)4-7-21(8-5-16)13(22)11-10-12(24-2)19-15(18-11)25-3/h10H,4-9H2,1-3H3,(H,17,23)
InChIKeyIKUYIHKFZGTJPH-UHFFFAOYSA-N
MW349.39 g/mol
LogP-0.47
Rot. Bonds3

About 9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one

9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 56743487) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID56743487
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOc1cc(C(=O)N2CCC3(CC2)C(=O)NCCN3C)nc(OC)n1
InChIInChI=1S/C16H23N5O4/c1-20-9-6-17-14(23)16(20)4-7-21(8-5-16)13(22)11-10-12(24-2)19-15(18-11)25-3/h10H,4-9H2,1-3H3,(H,17,23)
InChIKeyIKUYIHKFZGTJPH-UHFFFAOYSA-N
XLogP-0.47
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-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-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 56743487) is 9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one is COc1cc(C(=O)N2CCC3(CC2)C(=O)NCCN3C)nc(OC)n1.
What is the InChIKey of 9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is IKUYIHKFZGTJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-20-9-6-17-14(23)16(20)4-7-21(8-5-16)13(22)11-10-12(24-2)19-15(18-11)25-3/h10H,4-9H2,1-3H3,(H,17,23).
What are the key properties of 9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 349.39 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dimethoxypyrimidine-4-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 56743487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).