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

C14H20N6O — CID 44565818

IUPAC5-amino-4-morpholin-4-yl-6-piperidin-1-ylpyrimidine-2-carbonitrile
SMILESN#Cc1nc(N2CCCCC2)c(N)c(N2CCOCC2)n1
InChIInChI=1S/C14H20N6O/c15-10-11-17-13(19-4-2-1-3-5-19)12(16)14(18-11)20-6-8-21-9-7-20/h1-9,16H2
InChIKeyVLOWXSDNZJXGHP-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.76
Rot. Bonds2

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

5-amino-4-morpholin-4-yl-6-piperidin-1-ylpyrimidine-2-carbonitrile (PubChem CID 44565818) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 5-amino-4-morpholin-4-yl-6-piperidin-1-ylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-morpholin-4-yl-6-piperidin-1-ylpyrimidine-2-carbonitrile
PubChem CID44565818
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name5-amino-4-morpholin-4-yl-6-piperidin-1-ylpyrimidine-2-carbonitrile
SMILESN#Cc1nc(N2CCCCC2)c(N)c(N2CCOCC2)n1
InChIInChI=1S/C14H20N6O/c15-10-11-17-13(19-4-2-1-3-5-19)12(16)14(18-11)20-6-8-21-9-7-20/h1-9,16H2
InChIKeyVLOWXSDNZJXGHP-UHFFFAOYSA-N
XLogP0.76
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.76
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-piperidin-1-ylpyrimidine-2-carbonitrile?
The IUPAC name of 5-amino-4-morpholin-4-yl-6-piperidin-1-ylpyrimidine-2-carbonitrile (CID 44565818) is 5-amino-4-morpholin-4-yl-6-piperidin-1-ylpyrimidine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-morpholin-4-yl-6-piperidin-1-ylpyrimidine-2-carbonitrile?
The canonical SMILES for 5-amino-4-morpholin-4-yl-6-piperidin-1-ylpyrimidine-2-carbonitrile is N#Cc1nc(N2CCCCC2)c(N)c(N2CCOCC2)n1.
What is the InChIKey of 5-amino-4-morpholin-4-yl-6-piperidin-1-ylpyrimidine-2-carbonitrile?
The InChIKey is VLOWXSDNZJXGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c15-10-11-17-13(19-4-2-1-3-5-19)12(16)14(18-11)20-6-8-21-9-7-20/h1-9,16H2.
What are the key properties of 5-amino-4-morpholin-4-yl-6-piperidin-1-ylpyrimidine-2-carbonitrile?
5-amino-4-morpholin-4-yl-6-piperidin-1-ylpyrimidine-2-carbonitrile has a molecular weight of 288.36 g/mol, XLogP of 0.76, 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-piperidin-1-ylpyrimidine-2-carbonitrile is sourced from PubChem (CID 44565818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).