5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile

C13H18N6O — CID 44565800

IUPAC5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile
SMILESN#Cc1nc(N2CCCC2)c(N)c(N2CCOCC2)n1
InChIInChI=1S/C13H18N6O/c14-9-10-16-12(18-3-1-2-4-18)11(15)13(17-10)19-5-7-20-8-6-19/h1-8,15H2
InChIKeyLFLMADLDKPWBJX-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.37
Rot. Bonds2

About 5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile

5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile (PubChem CID 44565800) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile
PubChem CID44565800
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile
SMILESN#Cc1nc(N2CCCC2)c(N)c(N2CCOCC2)n1
InChIInChI=1S/C13H18N6O/c14-9-10-16-12(18-3-1-2-4-18)11(15)13(17-10)19-5-7-20-8-6-19/h1-8,15H2
InChIKeyLFLMADLDKPWBJX-UHFFFAOYSA-N
XLogP0.37
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile?
The IUPAC name of 5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile (CID 44565800) is 5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile?
The canonical SMILES for 5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile is N#Cc1nc(N2CCCC2)c(N)c(N2CCOCC2)n1.
What is the InChIKey of 5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile?
The InChIKey is LFLMADLDKPWBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c14-9-10-16-12(18-3-1-2-4-18)11(15)13(17-10)19-5-7-20-8-6-19/h1-8,15H2.
What are the key properties of 5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile?
5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile is sourced from PubChem (CID 44565800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).