9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one

C18H26N4O2 — CID 131687106

IUPAC9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1ncnc(C)c1C)CC2
InChIInChI=1S/C18H26N4O2/c1-4-21-11-18(6-5-15(21)23)7-9-22(10-8-18)17(24)16-13(2)14(3)19-12-20-16/h12H,4-11H2,1-3H3
InChIKeyMQGAYSLRPRTUCE-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.96
Rot. Bonds2

About 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one

9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131687106) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID131687106
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1ncnc(C)c1C)CC2
InChIInChI=1S/C18H26N4O2/c1-4-21-11-18(6-5-15(21)23)7-9-22(10-8-18)17(24)16-13(2)14(3)19-12-20-16/h12H,4-11H2,1-3H3
InChIKeyMQGAYSLRPRTUCE-UHFFFAOYSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-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-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one (CID 131687106) is 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(C(=O)c1ncnc(C)c1C)CC2.
What is the InChIKey of 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MQGAYSLRPRTUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-21-11-18(6-5-15(21)23)7-9-22(10-8-18)17(24)16-13(2)14(3)19-12-20-16/h12H,4-11H2,1-3H3.
What are the key properties of 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 330.43 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131687106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).