5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione

C10H15BrN2O4 — CID 125494289

IUPAC5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1cc(Br)c(=O)n(CCOC)c1=O
InChIInChI=1S/C10H15BrN2O4/c1-16-5-3-12-7-8(11)9(14)13(10(12)15)4-6-17-2/h7H,3-6H2,1-2H3
InChIKeyQLNYVKLVSMNQSU-UHFFFAOYSA-N
MW307.14 g/mol
LogP0.07
Rot. Bonds6

About 5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione

5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 125494289) has the molecular formula C10H15BrN2O4 and a molecular weight of 307.14 g/mol. Its IUPAC name is 5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID125494289
Molecular FormulaC10H15BrN2O4
Molecular Weight307.14 g/mol
Exact Mass306.02
IUPAC Name5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1cc(Br)c(=O)n(CCOC)c1=O
InChIInChI=1S/C10H15BrN2O4/c1-16-5-3-12-7-8(11)9(14)13(10(12)15)4-6-17-2/h7H,3-6H2,1-2H3
InChIKeyQLNYVKLVSMNQSU-UHFFFAOYSA-N
XLogP0.07
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Bromo-1-(1-methoxyethyl)-2,4(1H,3H)-pyrimidinedione
CID 547695
ethyl (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 745329
1,3-Bis-(2-methoxyethyl)uracil
CID 86291685
5-Bromo-1,3-di-n-propyl-uracil
CID 250741
5-bromo-1-[(S)-methoxy-[(2R)-oxiran-2-yl]methyl]-3-methylpyrimidine-2,4-dione
CID 134875875
5-Bromo-3-ethyl-1-methylpyrimidine-2,4-dione
CID 162414405
6-Amino-5-bromo-1-(2-methoxy-ethyl)-1H-pyrimidine-2,4-dione
CID 2389933
2-(5-Bromo-3-methyl-2,4-dioxopyrimidin-1-yl)ethyl nitrate
CID 10379669
3-(2-Methoxyethyl)-1-methylpyrimidine-2,4-dione
CID 12217686
5-Bromo-1,3-bis(oxiran-2-ylmethyl)pyrimidine-2,4-dione
CID 88692310
5-Bromo-3-[2-(dimethylamino)ethyl]-1-methylpyrimidine-2,4-dione
CID 89782786
5-Bromo-1-methyl-3-(2-morpholin-4-ylethyl)pyrimidine-2,4-dione
CID 89782854

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione (CID 125494289) is 5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1cc(Br)c(=O)n(CCOC)c1=O.
What is the InChIKey of 5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is QLNYVKLVSMNQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O4/c1-16-5-3-12-7-8(11)9(14)13(10(12)15)4-6-17-2/h7H,3-6H2,1-2H3.
What are the key properties of 5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione?
5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 307.14 g/mol, XLogP of 0.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-bis(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 125494289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).