5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile

C16H22N6O — CID 44565798

IUPAC5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
SMILESN#Cc1nc(NC2CC3CCC2C3)c(N)c(N2CCOCC2)n1
InChIInChI=1S/C16H22N6O/c17-9-13-20-15(19-12-8-10-1-2-11(12)7-10)14(18)16(21-13)22-3-5-23-6-4-22/h10-12H,1-8,18H2,(H,19,20,21)
InChIKeyCAEDNKKZJRIJKC-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.37
Rot. Bonds3

About 5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile

5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile (PubChem CID 44565798) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
PubChem CID44565798
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
SMILESN#Cc1nc(NC2CC3CCC2C3)c(N)c(N2CCOCC2)n1
InChIInChI=1S/C16H22N6O/c17-9-13-20-15(19-12-8-10-1-2-11(12)7-10)14(18)16(21-13)22-3-5-23-6-4-22/h10-12H,1-8,18H2,(H,19,20,21)
InChIKeyCAEDNKKZJRIJKC-UHFFFAOYSA-N
XLogP1.37
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The IUPAC name of 5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile (CID 44565798) is 5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The canonical SMILES for 5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile is N#Cc1nc(NC2CC3CCC2C3)c(N)c(N2CCOCC2)n1.
What is the InChIKey of 5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
The InChIKey is CAEDNKKZJRIJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c17-9-13-20-15(19-12-8-10-1-2-11(12)7-10)14(18)16(21-13)22-3-5-23-6-4-22/h10-12H,1-8,18H2,(H,19,20,21).
What are the key properties of 5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile?
5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-bicyclo[2.2.1]heptanylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile is sourced from PubChem (CID 44565798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).