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

C15H19N7O — CID 110255913

IUPAC2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C15H19N7O/c16-13(23)10-22-6-1-3-11(9-22)12-7-17-8-14(20-12)21-15-18-4-2-5-19-15/h2,4-5,7-8,11H,1,3,6,9-10H2,(H2,16,23)(H,18,19,20,21)
InChIKeyBMPHKGZXQHBVKD-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.67
Rot. Bonds5

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

2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide (PubChem CID 110255913) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
PubChem CID110255913
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C15H19N7O/c16-13(23)10-22-6-1-3-11(9-22)12-7-17-8-14(20-12)21-15-18-4-2-5-19-15/h2,4-5,7-8,11H,1,3,6,9-10H2,(H2,16,23)(H,18,19,20,21)
InChIKeyBMPHKGZXQHBVKD-UHFFFAOYSA-N
XLogP0.67
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
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-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide (CID 110255913) is 2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide is NC(=O)CN1CCCC(c2cncc(Nc3ncccn3)n2)C1.
What is the InChIKey of 2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide?
The InChIKey is BMPHKGZXQHBVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c16-13(23)10-22-6-1-3-11(9-22)12-7-17-8-14(20-12)21-15-18-4-2-5-19-15/h2,4-5,7-8,11H,1,3,6,9-10H2,(H2,16,23)(H,18,19,20,21).
What are the key properties of 2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide?
2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide has a molecular weight of 313.37 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110255913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).