5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione

C9H13BrN2O3 — CID 15025779

IUPAC5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1c(Br)c(=O)n(C)c(=O)n1CC(C)O
InChIInChI=1S/C9H13BrN2O3/c1-5(13)4-12-6(2)7(10)8(14)11(3)9(12)15/h5,13H,4H2,1-3H3
InChIKeyRJNJCAJZHGOQSP-UHFFFAOYSA-N
MW277.12 g/mol
LogP-0.00
Rot. Bonds2

About 5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione

5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 15025779) has the molecular formula C9H13BrN2O3 and a molecular weight of 277.12 g/mol. Its IUPAC name is 5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione
PubChem CID15025779
Molecular FormulaC9H13BrN2O3
Molecular Weight277.12 g/mol
Exact Mass276.01
IUPAC Name5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1c(Br)c(=O)n(C)c(=O)n1CC(C)O
InChIInChI=1S/C9H13BrN2O3/c1-5(13)4-12-6(2)7(10)8(14)11(3)9(12)15/h5,13H,4H2,1-3H3
InChIKeyRJNJCAJZHGOQSP-UHFFFAOYSA-N
XLogP-0.00
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262431
3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione
CID 117262422
5-bromo-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 66310730
6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262430
4-bromo-1-(difluoromethyl)-2,5-dimethylpyrazol-3-one
CID 58667874
2,6-dibromo-1,5-dimethylpyrazolo[1,2-a]pyrazole-3,7-dione
CID 12645742
3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione
CID 117262041
8-bromo-7-[(2S)-2-bromopropyl]-1,3-dimethylpurine-2,6-dione
CID 7164468
1-(2-hydroxypropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 70008029
5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4110339
2-[(2S)-2-hydroxypropyl]-3,4-dimethyl-1H-pyrazol-5-one
CID 177341906
7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
CID 7214251

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione (CID 15025779) is 5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione is Cc1c(Br)c(=O)n(C)c(=O)n1CC(C)O.
What is the InChIKey of 5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is RJNJCAJZHGOQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3/c1-5(13)4-12-6(2)7(10)8(14)11(3)9(12)15/h5,13H,4H2,1-3H3.
What are the key properties of 5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione?
5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione has a molecular weight of 277.12 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 15025779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).