2,5,6-trichloro-3-methylpyrimidin-4-one

C5H3Cl3N2O — CID 118483215

IUPAC2,5,6-trichloro-3-methylpyrimidin-4-one
SMILESCn1c(Cl)nc(Cl)c(Cl)c1=O
InChIInChI=1S/C5H3Cl3N2O/c1-10-4(11)2(6)3(7)9-5(10)8/h1H3
InChIKeyQYISNYYGONBDTR-UHFFFAOYSA-N
MW213.45 g/mol
LogP1.74
Rot. Bonds

About 2,5,6-trichloro-3-methylpyrimidin-4-one

2,5,6-trichloro-3-methylpyrimidin-4-one (PubChem CID 118483215) has the molecular formula C5H3Cl3N2O and a molecular weight of 213.45 g/mol. Its IUPAC name is 2,5,6-trichloro-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2,5,6-trichloro-3-methylpyrimidin-4-one
PubChem CID118483215
Molecular FormulaC5H3Cl3N2O
Molecular Weight213.45 g/mol
Exact Mass211.93
IUPAC Name2,5,6-trichloro-3-methylpyrimidin-4-one
SMILESCn1c(Cl)nc(Cl)c(Cl)c1=O
InChIInChI=1S/C5H3Cl3N2O/c1-10-4(11)2(6)3(7)9-5(10)8/h1H3
InChIKeyQYISNYYGONBDTR-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.45
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trichloro-3-methylpyrimidin-4-one?
The IUPAC name of 2,5,6-trichloro-3-methylpyrimidin-4-one (CID 118483215) is 2,5,6-trichloro-3-methylpyrimidin-4-one.
What is the SMILES notation for 2,5,6-trichloro-3-methylpyrimidin-4-one?
The canonical SMILES for 2,5,6-trichloro-3-methylpyrimidin-4-one is Cn1c(Cl)nc(Cl)c(Cl)c1=O.
What is the InChIKey of 2,5,6-trichloro-3-methylpyrimidin-4-one?
The InChIKey is QYISNYYGONBDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3N2O/c1-10-4(11)2(6)3(7)9-5(10)8/h1H3.
What are the key properties of 2,5,6-trichloro-3-methylpyrimidin-4-one?
2,5,6-trichloro-3-methylpyrimidin-4-one has a molecular weight of 213.45 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trichloro-3-methylpyrimidin-4-one is sourced from PubChem (CID 118483215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).