1-METHYLURACIL
C₅H₆N₂O₂·126.110 g/mol·CID 12009
IUPAC: 1-methylpyrimidine-2,4-dione
Also known as: 615-77-0, 1-methylpyrimidine-2,4-dione, Uracil, 1-methyl-, 2,4(1H,3H)-Pyrimidinedione, 1-methyl-, NSC-44432 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
126.110g/mol
Exact Mass
126.042927Da
Monoisotopic Mass
126.042927Da
XLogP
-1.2
Polar Surface Area
49.4Ų
Complexity
185
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 126.1 g/mol
MW ≤ 500
✓ -1.2
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H351Suspected of causing cancer
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₆N₂O₂
5-methyl-1H-pyrimidine-2,4-dione
CID 1135 · 126.1 g/mol
6-methyl-1H-pyrimidine-2,4-dione
CID 12283 · 126.1 g/mol
2-(1H-imidazol-5-yl)acetic acid
CID 96215 · 126.1 g/mol
5-methyl-1H-pyrazole-3-carboxylic acid
CID 9822 · 126.1 g/mol
3-methyl-1H-pyrimidine-2,4-dione
CID 79066 · 126.1 g/mol
methyl 1H-imidazole-5-carboxylate
CID 565661 · 126.1 g/mol
2-imidazol-1-ylacetic acid
CID 656129 · 126.1 g/mol
2-(1H-imidazol-3-ium-5-yl)acetate
CID 28305488 · 126.1 g/mol