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

C12H11ClN2O2 — CID 60697647

IUPAC3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C12H11ClN2O2/c1-14-7-6-11(16)15(12(14)17)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3
InChIKeyIUDKXGRIZCCLOY-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.25
Rot. Bonds2

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

3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 60697647) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione
PubChem CID60697647
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C12H11ClN2O2/c1-14-7-6-11(16)15(12(14)17)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3
InChIKeyIUDKXGRIZCCLOY-UHFFFAOYSA-N
XLogP1.25
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.25
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]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione (CID 60697647) is 3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione is Cn1ccc(=O)n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is IUDKXGRIZCCLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-14-7-6-11(16)15(12(14)17)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 250.69 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 60697647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).