1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione

C12H10ClFN2O2 — CID 102974837

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2cc(Cl)ccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C12H10ClFN2O2/c1-7-5-16(12(18)15-11(7)17)6-8-4-9(13)2-3-10(8)14/h2-5H,6H2,1H3,(H,15,17,18)
InChIKeyIVFXKQGYLNUGNN-UHFFFAOYSA-N
MW268.67 g/mol
LogP1.69
Rot. Bonds2

About 1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione

1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 102974837) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.67 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione
PubChem CID102974837
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.67 g/mol
Exact Mass268.04
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2cc(Cl)ccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C12H10ClFN2O2/c1-7-5-16(12(18)15-11(7)17)6-8-4-9(13)2-3-10(8)14/h2-5H,6H2,1H3,(H,15,17,18)
InChIKeyIVFXKQGYLNUGNN-UHFFFAOYSA-N
XLogP1.69
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione (CID 102974837) is 1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(Cc2cc(Cl)ccc2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is IVFXKQGYLNUGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-7-5-16(12(18)15-11(7)17)6-8-4-9(13)2-3-10(8)14/h2-5H,6H2,1H3,(H,15,17,18).
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione?
1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 268.67 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 102974837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).