2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

C15H19N7O — CID 110255880

IUPAC2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C15H19N7O/c16-7-14(23)22-6-1-3-11(10-22)12-8-17-9-13(20-12)21-15-18-4-2-5-19-15/h2,4-5,8-9,11H,1,3,6-7,10,16H2,(H,18,19,20,21)
InChIKeyWVFDCMRDQWVAAU-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.67
Rot. Bonds4

About 2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110255880) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID110255880
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C15H19N7O/c16-7-14(23)22-6-1-3-11(10-22)12-8-17-9-13(20-12)21-15-18-4-2-5-19-15/h2,4-5,8-9,11H,1,3,6-7,10,16H2,(H,18,19,20,21)
InChIKeyWVFDCMRDQWVAAU-UHFFFAOYSA-N
XLogP0.67
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 110255880) is 2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is NCC(=O)N1CCCC(c2cncc(Nc3ncccn3)n2)C1.
What is the InChIKey of 2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is WVFDCMRDQWVAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c16-7-14(23)22-6-1-3-11(10-22)12-8-17-9-13(20-12)21-15-18-4-2-5-19-15/h2,4-5,8-9,11H,1,3,6-7,10,16H2,(H,18,19,20,21).
What are the key properties of 2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 313.37 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110255880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).