5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

C15H17N7O — CID 42610708

IUPAC5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CCOCC3)ncn2)cn1
InChIInChI=1S/C15H17N7O/c16-6-12-8-19-15(9-17-12)22-14-5-13(20-10-21-14)18-7-11-1-3-23-4-2-11/h5,8-11H,1-4,7H2,(H2,18,19,20,21,22)
InChIKeyJEBJYXZBHNKYML-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.72
Rot. Bonds5

About 5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 42610708) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID42610708
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CCOCC3)ncn2)cn1
InChIInChI=1S/C15H17N7O/c16-6-12-8-19-15(9-17-12)22-14-5-13(20-10-21-14)18-7-11-1-3-23-4-2-11/h5,8-11H,1-4,7H2,(H2,18,19,20,21,22)
InChIKeyJEBJYXZBHNKYML-UHFFFAOYSA-N
XLogP1.72
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (CID 42610708) is 5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NCC3CCOCC3)ncn2)cn1.
What is the InChIKey of 5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is JEBJYXZBHNKYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c16-6-12-8-19-15(9-17-12)22-14-5-13(20-10-21-14)18-7-11-1-3-23-4-2-11/h5,8-11H,1-4,7H2,(H2,18,19,20,21,22).
What are the key properties of 5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 311.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 42610708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).