2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol

C15H20N6O — CID 110094417

IUPAC2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(c2ccnc(Nc3cnccn3)n2)CC1
InChIInChI=1S/C15H20N6O/c22-10-9-21-7-2-12(3-8-21)13-1-4-18-15(19-13)20-14-11-16-5-6-17-14/h1,4-6,11-12,22H,2-3,7-10H2,(H,17,18,19,20)
InChIKeyJLKVVWPUXXSONH-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.18
Rot. Bonds5

About 2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol

2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol (PubChem CID 110094417) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol
PubChem CID110094417
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(c2ccnc(Nc3cnccn3)n2)CC1
InChIInChI=1S/C15H20N6O/c22-10-9-21-7-2-12(3-8-21)13-1-4-18-15(19-13)20-14-11-16-5-6-17-14/h1,4-6,11-12,22H,2-3,7-10H2,(H,17,18,19,20)
InChIKeyJLKVVWPUXXSONH-UHFFFAOYSA-N
XLogP1.18
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol (CID 110094417) is 2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol is OCCN1CCC(c2ccnc(Nc3cnccn3)n2)CC1.
What is the InChIKey of 2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol?
The InChIKey is JLKVVWPUXXSONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c22-10-9-21-7-2-12(3-8-21)13-1-4-18-15(19-13)20-14-11-16-5-6-17-14/h1,4-6,11-12,22H,2-3,7-10H2,(H,17,18,19,20).
What are the key properties of 2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol?
2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol has a molecular weight of 300.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 110094417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).