4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine

C14H20Cl2N4O2 — CID 168922924

IUPAC4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine
SMILESCN1CCCC(Oc2nc(N3CCOCC3)nc(Cl)c2Cl)C1
InChIInChI=1S/C14H20Cl2N4O2/c1-19-4-2-3-10(9-19)22-13-11(15)12(16)17-14(18-13)20-5-7-21-8-6-20/h10H,2-9H2,1H3
InChIKeyPWUMLTYBVYDRQO-UHFFFAOYSA-N
MW347.25 g/mol
LogP2.09
Rot. Bonds3

About 4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine

4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine (PubChem CID 168922924) has the molecular formula C14H20Cl2N4O2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine
PubChem CID168922924
Molecular FormulaC14H20Cl2N4O2
Molecular Weight347.25 g/mol
Exact Mass346.10
IUPAC Name4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine
SMILESCN1CCCC(Oc2nc(N3CCOCC3)nc(Cl)c2Cl)C1
InChIInChI=1S/C14H20Cl2N4O2/c1-19-4-2-3-10(9-19)22-13-11(15)12(16)17-14(18-13)20-5-7-21-8-6-20/h10H,2-9H2,1H3
InChIKeyPWUMLTYBVYDRQO-UHFFFAOYSA-N
XLogP2.09
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine (CID 168922924) is 4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine is CN1CCCC(Oc2nc(N3CCOCC3)nc(Cl)c2Cl)C1.
What is the InChIKey of 4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine?
The InChIKey is PWUMLTYBVYDRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4O2/c1-19-4-2-3-10(9-19)22-13-11(15)12(16)17-14(18-13)20-5-7-21-8-6-20/h10H,2-9H2,1H3.
What are the key properties of 4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine?
4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine has a molecular weight of 347.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-dichloro-6-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]morpholine is sourced from PubChem (CID 168922924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).