1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione

C8H9BrN2O2 — CID 177313030

IUPAC1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione
SMILESC=C(CBr)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H9BrN2O2/c1-6(4-9)5-11-3-2-7(12)10-8(11)13/h2-3H,1,4-5H2,(H,10,12,13)
InChIKeyTVPBXASCYPPHOS-UHFFFAOYSA-N
MW245.08 g/mol
LogP0.49
Rot. Bonds3

About 1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione

1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione (PubChem CID 177313030) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione
PubChem CID177313030
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione
SMILESC=C(CBr)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H9BrN2O2/c1-6(4-9)5-11-3-2-7(12)10-8(11)13/h2-3H,1,4-5H2,(H,10,12,13)
InChIKeyTVPBXASCYPPHOS-UHFFFAOYSA-N
XLogP0.49
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 115636712
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62025207
N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 63812524
tert-butyl 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 2802880
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62023373
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione (CID 177313030) is 1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione is C=C(CBr)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione?
The InChIKey is TVPBXASCYPPHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-6(4-9)5-11-3-2-7(12)10-8(11)13/h2-3H,1,4-5H2,(H,10,12,13).
What are the key properties of 1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione?
1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione has a molecular weight of 245.08 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 177313030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).