4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C17H24N4O3 — CID 71995852

IUPAC4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCOC1CC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)C12CCCC2
InChIInChI=1S/C17H24N4O3/c1-4-24-13-9-12(17(13)7-5-6-8-17)19-14-11(10-18)15(22)21(3)16(23)20(14)2/h12-13,19H,4-9H2,1-3H3
InChIKeyTZNXMJZUFPELAN-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.11
Rot. Bonds4

About 4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 71995852) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID71995852
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCOC1CC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)C12CCCC2
InChIInChI=1S/C17H24N4O3/c1-4-24-13-9-12(17(13)7-5-6-8-17)19-14-11(10-18)15(22)21(3)16(23)20(14)2/h12-13,19H,4-9H2,1-3H3
InChIKeyTZNXMJZUFPELAN-UHFFFAOYSA-N
XLogP1.11
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile 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-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 71995852) is 4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CCOC1CC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)C12CCCC2.
What is the InChIKey of 4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is TZNXMJZUFPELAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-24-13-9-12(17(13)7-5-6-8-17)19-14-11(10-18)15(22)21(3)16(23)20(14)2/h12-13,19H,4-9H2,1-3H3.
What are the key properties of 4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 332.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 71995852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).