1-benzyl-3-methylpyrimidine-2,4-dione

C12H12N2O2 — CID 13114197

IUPAC1-benzyl-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H12N2O2/c1-13-11(15)7-8-14(12(13)16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyOSKCTFCFDFVEQE-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.60
Rot. Bonds2

About 1-benzyl-3-methylpyrimidine-2,4-dione

1-benzyl-3-methylpyrimidine-2,4-dione (PubChem CID 13114197) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-benzyl-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-methylpyrimidine-2,4-dione
PubChem CID13114197
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-benzyl-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H12N2O2/c1-13-11(15)7-8-14(12(13)16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyOSKCTFCFDFVEQE-UHFFFAOYSA-N
XLogP0.60
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-3-methylpyrimidine-2,4-dione (CID 13114197) is 1-benzyl-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-methylpyrimidine-2,4-dione is Cn1c(=O)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-methylpyrimidine-2,4-dione?
The InChIKey is OSKCTFCFDFVEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-13-11(15)7-8-14(12(13)16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 1-benzyl-3-methylpyrimidine-2,4-dione?
1-benzyl-3-methylpyrimidine-2,4-dione has a molecular weight of 216.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 13114197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).