2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine

C10H12Cl2FN3O — CID 87758575

IUPAC2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine
SMILESCOC1CCN(c2nc(Cl)nc(Cl)c2F)CC1
InChIInChI=1S/C10H12Cl2FN3O/c1-17-6-2-4-16(5-3-6)9-7(13)8(11)14-10(12)15-9/h6H,2-5H2,1H3
InChIKeyXVJRQNBMHUGGJT-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.54
Rot. Bonds2

About 2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine

2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine (PubChem CID 87758575) has the molecular formula C10H12Cl2FN3O and a molecular weight of 280.13 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine
PubChem CID87758575
Molecular FormulaC10H12Cl2FN3O
Molecular Weight280.13 g/mol
Exact Mass279.03
IUPAC Name2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine
SMILESCOC1CCN(c2nc(Cl)nc(Cl)c2F)CC1
InChIInChI=1S/C10H12Cl2FN3O/c1-17-6-2-4-16(5-3-6)9-7(13)8(11)14-10(12)15-9/h6H,2-5H2,1H3
InChIKeyXVJRQNBMHUGGJT-UHFFFAOYSA-N
XLogP2.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine?
The IUPAC name of 2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine (CID 87758575) is 2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine is COC1CCN(c2nc(Cl)nc(Cl)c2F)CC1.
What is the InChIKey of 2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine?
The InChIKey is XVJRQNBMHUGGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FN3O/c1-17-6-2-4-16(5-3-6)9-7(13)8(11)14-10(12)15-9/h6H,2-5H2,1H3.
What are the key properties of 2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine?
2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine has a molecular weight of 280.13 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 87758575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).