5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one

C18H23N5O3 — CID 166307152

IUPAC5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1ccc(N2CCN(c3cc(OC4CCOCC4)ncn3)CC2)c[nH]1
InChIInChI=1S/C18H23N5O3/c24-17-2-1-14(12-19-17)22-5-7-23(8-6-22)16-11-18(21-13-20-16)26-15-3-9-25-10-4-15/h1-2,11-13,15H,3-10H2,(H,19,24)
InChIKeyRNGZWCSPBKKOIA-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.05
Rot. Bonds4

About 5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one

5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 166307152) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one
PubChem CID166307152
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1ccc(N2CCN(c3cc(OC4CCOCC4)ncn3)CC2)c[nH]1
InChIInChI=1S/C18H23N5O3/c24-17-2-1-14(12-19-17)22-5-7-23(8-6-22)16-11-18(21-13-20-16)26-15-3-9-25-10-4-15/h1-2,11-13,15H,3-10H2,(H,19,24)
InChIKeyRNGZWCSPBKKOIA-UHFFFAOYSA-N
XLogP1.05
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one (CID 166307152) is 5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one is O=c1ccc(N2CCN(c3cc(OC4CCOCC4)ncn3)CC2)c[nH]1.
What is the InChIKey of 5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is RNGZWCSPBKKOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-17-2-1-14(12-19-17)22-5-7-23(8-6-22)16-11-18(21-13-20-16)26-15-3-9-25-10-4-15/h1-2,11-13,15H,3-10H2,(H,19,24).
What are the key properties of 5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one?
5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 357.41 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 166307152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).