2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile

C18H21N7O2 — CID 59507952

IUPAC2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile
SMILESN#Cc1cc(N)ncc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N7O2/c19-11-13-9-16(20)21-12-14(13)15-10-17(24-1-5-26-6-2-24)23-18(22-15)25-3-7-27-8-4-25/h9-10,12H,1-8H2,(H2,20,21)
InChIKeySQQHRHWAOFNFOE-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.67
Rot. Bonds3

About 2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile

2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile (PubChem CID 59507952) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile
PubChem CID59507952
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile
SMILESN#Cc1cc(N)ncc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N7O2/c19-11-13-9-16(20)21-12-14(13)15-10-17(24-1-5-26-6-2-24)23-18(22-15)25-3-7-27-8-4-25/h9-10,12H,1-8H2,(H2,20,21)
InChIKeySQQHRHWAOFNFOE-UHFFFAOYSA-N
XLogP0.67
TPSA113.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-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-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile (CID 59507952) is 2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile is N#Cc1cc(N)ncc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile?
The InChIKey is SQQHRHWAOFNFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c19-11-13-9-16(20)21-12-14(13)15-10-17(24-1-5-26-6-2-24)23-18(22-15)25-3-7-27-8-4-25/h9-10,12H,1-8H2,(H2,20,21).
What are the key properties of 2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile?
2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile has a molecular weight of 367.41 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 59507952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).