1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol

C17H17N5O2 — CID 95800063

IUPAC1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1
InChIInChI=1S/C17H17N5O2/c23-12-3-7-22(8-4-12)17-20-10-13(14-11-18-5-6-19-14)16(21-17)15-2-1-9-24-15/h1-2,5-6,9-12,23H,3-4,7-8H2
InChIKeyQCNDAUIUDKBFKY-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.15
Rot. Bonds3

About 1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol

1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol (PubChem CID 95800063) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol
PubChem CID95800063
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1
InChIInChI=1S/C17H17N5O2/c23-12-3-7-22(8-4-12)17-20-10-13(14-11-18-5-6-19-14)16(21-17)15-2-1-9-24-15/h1-2,5-6,9-12,23H,3-4,7-8H2
InChIKeyQCNDAUIUDKBFKY-UHFFFAOYSA-N
XLogP2.15
TPSA88.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol (CID 95800063) is 1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol is OC1CCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1.
What is the InChIKey of 1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol?
The InChIKey is QCNDAUIUDKBFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-12-3-7-22(8-4-12)17-20-10-13(14-11-18-5-6-19-14)16(21-17)15-2-1-9-24-15/h1-2,5-6,9-12,23H,3-4,7-8H2.
What are the key properties of 1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol?
1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol has a molecular weight of 323.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 95800063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).