5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

C15H18N8 — CID 42610562

IUPAC5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N3CCC(CN)CC3)ncn2)cn1
InChIInChI=1S/C15H18N8/c16-6-11-1-3-23(4-2-11)15-5-13(20-10-21-15)22-14-9-18-12(7-17)8-19-14/h5,8-11H,1-4,6,16H2,(H,19,20,21,22)
InChIKeyXSMZSVRRTXHVRW-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.06
Rot. Bonds4

About 5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 42610562) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID42610562
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N3CCC(CN)CC3)ncn2)cn1
InChIInChI=1S/C15H18N8/c16-6-11-1-3-23(4-2-11)15-5-13(20-10-21-15)22-14-9-18-12(7-17)8-19-14/h5,8-11H,1-4,6,16H2,(H,19,20,21,22)
InChIKeyXSMZSVRRTXHVRW-UHFFFAOYSA-N
XLogP1.06
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (CID 42610562) is 5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(N3CCC(CN)CC3)ncn2)cn1.
What is the InChIKey of 5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is XSMZSVRRTXHVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c16-6-11-1-3-23(4-2-11)15-5-13(20-10-21-15)22-14-9-18-12(7-17)8-19-14/h5,8-11H,1-4,6,16H2,(H,19,20,21,22).
What are the key properties of 5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 310.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 42610562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).