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

C20H18ClFN2O2 — CID 129197965

IUPAC3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(-c2ccc(F)cc2)cc(=O)n(C(C)(C)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H18ClFN2O2/c1-20(2,14-6-8-15(21)9-7-14)24-18(25)12-17(23(3)19(24)26)13-4-10-16(22)11-5-13/h4-12H,1-3H3
InChIKeyOPRMMNQBOZGULW-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.79
Rot. Bonds3

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

3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione (PubChem CID 129197965) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione
PubChem CID129197965
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(-c2ccc(F)cc2)cc(=O)n(C(C)(C)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H18ClFN2O2/c1-20(2,14-6-8-15(21)9-7-14)24-18(25)12-17(23(3)19(24)26)13-4-10-16(22)11-5-13/h4-12H,1-3H3
InChIKeyOPRMMNQBOZGULW-UHFFFAOYSA-N
XLogP3.79
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione (CID 129197965) is 3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione is Cn1c(-c2ccc(F)cc2)cc(=O)n(C(C)(C)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is OPRMMNQBOZGULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-20(2,14-6-8-15(21)9-7-14)24-18(25)12-17(23(3)19(24)26)13-4-10-16(22)11-5-13/h4-12H,1-3H3.
What are the key properties of 3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione?
3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 372.83 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 129197965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).