5-bromo-4,6-dimethyl-1H-pyrimidin-2-one

C6H7BrN2O — CID 608811

IUPAC5-bromo-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1Br
InChIInChI=1S/C6H7BrN2O/c1-3-5(7)4(2)9-6(10)8-3/h1-2H3,(H,8,9,10)
InChIKeyYIOKKPFNMLYMET-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.15
Rot. Bonds

About 5-bromo-4,6-dimethyl-1H-pyrimidin-2-one

5-bromo-4,6-dimethyl-1H-pyrimidin-2-one (PubChem CID 608811) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 5-bromo-4,6-dimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-bromo-4,6-dimethyl-1H-pyrimidin-2-one
PubChem CID608811
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name5-bromo-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1Br
InChIInChI=1S/C6H7BrN2O/c1-3-5(7)4(2)9-6(10)8-3/h1-2H3,(H,8,9,10)
InChIKeyYIOKKPFNMLYMET-UHFFFAOYSA-N
XLogP1.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride
CID 21405088
4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one
CID 147755232
5-bromo-4-butoxy-6-methyl-1H-pyrimidin-2-one
CID 102529566
5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one
CID 82503870
4-methyl-6,7-dihydro-3H-cyclopenta[d]pyrimidine-2,5-dione
CID 83861344
ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate
CID 7063845
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
CID 43355414
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide
CID 43500358
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107866602
5-bromo-4-chloro-6-propan-2-yl-1H-pyrimidin-2-one
CID 117260476
5-amino-6-methyl-4-(methylamino)-1H-pyrimidin-2-one
CID 131028516
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 43500431

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dimethyl-1H-pyrimidin-2-one?
The IUPAC name of 5-bromo-4,6-dimethyl-1H-pyrimidin-2-one (CID 608811) is 5-bromo-4,6-dimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-bromo-4,6-dimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-bromo-4,6-dimethyl-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1Br.
What is the InChIKey of 5-bromo-4,6-dimethyl-1H-pyrimidin-2-one?
The InChIKey is YIOKKPFNMLYMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-3-5(7)4(2)9-6(10)8-3/h1-2H3,(H,8,9,10).
What are the key properties of 5-bromo-4,6-dimethyl-1H-pyrimidin-2-one?
5-bromo-4,6-dimethyl-1H-pyrimidin-2-one has a molecular weight of 203.04 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 608811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).