3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione

C18H14ClFN2O2 — CID 129197950

IUPAC3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(-c2ccc(F)cc2)cc(=O)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H14ClFN2O2/c1-21-16(13-4-8-15(20)9-5-13)10-17(23)22(18(21)24)11-12-2-6-14(19)7-3-12/h2-10H,11H2,1H3
InChIKeyRMLSBRSTBVHJNY-UHFFFAOYSA-N
MW344.77 g/mol
LogP3.05
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione

3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione (PubChem CID 129197950) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione
PubChem CID129197950
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(-c2ccc(F)cc2)cc(=O)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H14ClFN2O2/c1-21-16(13-4-8-15(20)9-5-13)10-17(23)22(18(21)24)11-12-2-6-14(19)7-3-12/h2-10H,11H2,1H3
InChIKeyRMLSBRSTBVHJNY-UHFFFAOYSA-N
XLogP3.05
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione (CID 129197950) is 3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione is Cn1c(-c2ccc(F)cc2)cc(=O)n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is RMLSBRSTBVHJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-21-16(13-4-8-15(20)9-5-13)10-17(23)22(18(21)24)11-12-2-6-14(19)7-3-12/h2-10H,11H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione?
3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 344.77 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 129197950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).