5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione

C15H12BrN3O2 — CID 79231970

IUPAC5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(Cn2cc(Br)c(=O)[nH]c2=O)c2ccccc2n1
InChIInChI=1S/C15H12BrN3O2/c1-9-6-10(11-4-2-3-5-13(11)17-9)7-19-8-12(16)14(20)18-15(19)21/h2-6,8H,7H2,1H3,(H,18,20,21)
InChIKeyPZLYMAWPYOFARY-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.20
Rot. Bonds2

About 5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione

5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 79231970) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID79231970
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(Cn2cc(Br)c(=O)[nH]c2=O)c2ccccc2n1
InChIInChI=1S/C15H12BrN3O2/c1-9-6-10(11-4-2-3-5-13(11)17-9)7-19-8-12(16)14(20)18-15(19)21/h2-6,8H,7H2,1H3,(H,18,20,21)
InChIKeyPZLYMAWPYOFARY-UHFFFAOYSA-N
XLogP2.20
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione (CID 79231970) is 5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione is Cc1cc(Cn2cc(Br)c(=O)[nH]c2=O)c2ccccc2n1.
What is the InChIKey of 5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is PZLYMAWPYOFARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-9-6-10(11-4-2-3-5-13(11)17-9)7-19-8-12(16)14(20)18-15(19)21/h2-6,8H,7H2,1H3,(H,18,20,21).
What are the key properties of 5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione?
5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 346.18 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 79231970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).