2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile

C13H20N4O — CID 4962001

IUPAC2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(CCN2CCOCC2)c1C
InChIInChI=1S/C13H20N4O/c1-10-11(2)17(13(15)12(10)9-14)4-3-16-5-7-18-8-6-16/h3-8,15H2,1-2H3
InChIKeyMTCWTRJJZRAQOC-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.89
Rot. Bonds3

About 2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile

2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile (PubChem CID 4962001) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile
PubChem CID4962001
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(CCN2CCOCC2)c1C
InChIInChI=1S/C13H20N4O/c1-10-11(2)17(13(15)12(10)9-14)4-3-16-5-7-18-8-6-16/h3-8,15H2,1-2H3
InChIKeyMTCWTRJJZRAQOC-UHFFFAOYSA-N
XLogP0.89
TPSA67.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-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 2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile (CID 4962001) is 2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile is Cc1c(C#N)c(N)n(CCN2CCOCC2)c1C.
What is the InChIKey of 2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile?
The InChIKey is MTCWTRJJZRAQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-11(2)17(13(15)12(10)9-14)4-3-16-5-7-18-8-6-16/h3-8,15H2,1-2H3.
What are the key properties of 2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile?
2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonitrile is sourced from PubChem (CID 4962001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).