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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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide
CID 24981700
6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione
CID 71731356
1-[(E)-3-quinolin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one
CID 145976866
Urea, 1-(9-acridinyl)-3-(2-bromoallyl)-
CID 299427
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-quinolin-8-ylprop-2-enamide
CID 18144922
5-Methyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-dione
CID 137652581
5-(9-Acridinyl)-6-amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 372536
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 18084102
N-methyl-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N-(5-quinolinylmethyl)acetamide
CID 56882052
3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N-methyl-N-(5-quinolinylmethyl)propanamide
CID 56885987
2-amino-5-bromo-4-(2-quinolyl)-1H-pyrimidin-6-one
CID 135435166
5-Methyl-1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-dione
CID 137640994

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).