6-chloro-2,3,5-trimethylpyrimidin-4-one

C7H9ClN2O — CID 171351666

IUPAC6-chloro-2,3,5-trimethylpyrimidin-4-one
SMILESCc1c(Cl)nc(C)n(C)c1=O
InChIInChI=1S/C7H9ClN2O/c1-4-6(8)9-5(2)10(3)7(4)11/h1-3H3
InChIKeySRUSTJUEQQYMLE-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.05
Rot. Bonds

About 6-chloro-2,3,5-trimethylpyrimidin-4-one

6-chloro-2,3,5-trimethylpyrimidin-4-one (PubChem CID 171351666) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 6-chloro-2,3,5-trimethylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2,3,5-trimethylpyrimidin-4-one
PubChem CID171351666
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name6-chloro-2,3,5-trimethylpyrimidin-4-one
SMILESCc1c(Cl)nc(C)n(C)c1=O
InChIInChI=1S/C7H9ClN2O/c1-4-6(8)9-5(2)10(3)7(4)11/h1-3H3
InChIKeySRUSTJUEQQYMLE-UHFFFAOYSA-N
XLogP1.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3,5-trimethylpyrimidin-4-one?
The IUPAC name of 6-chloro-2,3,5-trimethylpyrimidin-4-one (CID 171351666) is 6-chloro-2,3,5-trimethylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-2,3,5-trimethylpyrimidin-4-one?
The canonical SMILES for 6-chloro-2,3,5-trimethylpyrimidin-4-one is Cc1c(Cl)nc(C)n(C)c1=O.
What is the InChIKey of 6-chloro-2,3,5-trimethylpyrimidin-4-one?
The InChIKey is SRUSTJUEQQYMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-4-6(8)9-5(2)10(3)7(4)11/h1-3H3.
What are the key properties of 6-chloro-2,3,5-trimethylpyrimidin-4-one?
6-chloro-2,3,5-trimethylpyrimidin-4-one has a molecular weight of 172.61 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3,5-trimethylpyrimidin-4-one is sourced from PubChem (CID 171351666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).