5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one

C7H10BrN3O — CID 135991250

IUPAC5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C)[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O/c1-4-5(8)6(12)10-7(9-4)11(2)3/h1-3H3,(H,9,10,12)
InChIKeyJKQFDNYBLVSFRW-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.91
Rot. Bonds1

About 5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one

5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135991250) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135991250
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C)[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O/c1-4-5(8)6(12)10-7(9-4)11(2)3/h1-3H3,(H,9,10,12)
InChIKeyJKQFDNYBLVSFRW-UHFFFAOYSA-N
XLogP0.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-bromo-6-methyl-4-pyrimidinol
CID 135415622
2-amino-5-bromo-6-ethyl-1H-pyrimidin-4-one
CID 135480615
5-Bromo-3-ethyl-6-methyl-2-(propan-2-ylamino)pyrimidin-4-one
CID 178312629
2-(dimethylamino)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136175642
5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137229799
5-Bromo-2-(dimethylamino)pyrimidin-4(3H)-one
CID 15620533
2-Amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde
CID 88845179
4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137198828
N-(5-bromo-4-hydroxy-6-methyl-2-pyrimidinyl)acetamide
CID 135794131
5-bromo-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 136225145
5-bromo-2-(cyclopropylamino)-4-methyl-1H-pyrimidin-6-one
CID 136225312
2-(Dimethylamino)-5-iodo-6-methylpyrimidin-4(3H)-one
CID 136225953

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one (CID 135991250) is 5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)C)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JKQFDNYBLVSFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-4-5(8)6(12)10-7(9-4)11(2)3/h1-3H3,(H,9,10,12).
What are the key properties of 5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one?
5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 232.08 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135991250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).