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

C15H18N8 — CID 42610483

IUPAC5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CCNCC3)ncn2)cn1
InChIInChI=1S/C15H18N8/c16-6-12-8-20-15(9-18-12)23-14-5-13(21-10-22-14)19-7-11-1-3-17-4-2-11/h5,8-11,17H,1-4,7H2,(H2,19,20,21,22,23)
InChIKeyLNWARQATROLGJR-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.29
Rot. Bonds5

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

5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 42610483) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID42610483
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CCNCC3)ncn2)cn1
InChIInChI=1S/C15H18N8/c16-6-12-8-20-15(9-18-12)23-14-5-13(21-10-22-14)19-7-11-1-3-17-4-2-11/h5,8-11,17H,1-4,7H2,(H2,19,20,21,22,23)
InChIKeyLNWARQATROLGJR-UHFFFAOYSA-N
XLogP1.29
TPSA111.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (CID 42610483) is 5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NCC3CCNCC3)ncn2)cn1.
What is the InChIKey of 5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is LNWARQATROLGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c16-6-12-8-20-15(9-18-12)23-14-5-13(21-10-22-14)19-7-11-1-3-17-4-2-11/h5,8-11,17H,1-4,7H2,(H2,19,20,21,22,23).
What are the key properties of 5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 310.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 42610483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).