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

C6H8BrN3O — CID 15620533

IUPAC5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C6H8BrN3O/c1-10(2)6-8-3-4(7)5(11)9-6/h3H,1-2H3,(H,8,9,11)
InChIKeyQAVCLCBXWYPEHC-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.60
Rot. Bonds1

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

5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 15620533) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID15620533
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C6H8BrN3O/c1-10(2)6-8-3-4(7)5(11)9-6/h3H,1-2H3,(H,8,9,11)
InChIKeyQAVCLCBXWYPEHC-UHFFFAOYSA-N
XLogP0.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 512016
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CID 134858929
2-(dimethylamino)-5-fluoro-1H-pyrimidin-6-one
CID 124705839
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CID 54279750
5-bromo-2-(pentylamino)-1H-pyrimidin-6-one
CID 68619890
5-bromo-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135991250
4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137198828
ethane;1-methyl-2-methylimino-5H-pyrimidin-5-id-4-one;rubidium(1+)
CID 145621893
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CID 168966508

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one (CID 15620533) is 5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one is CN(C)c1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is QAVCLCBXWYPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-10(2)6-8-3-4(7)5(11)9-6/h3H,1-2H3,(H,8,9,11).
What are the key properties of 5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one?
5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 218.05 g/mol, XLogP of 0.60, 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)-1H-pyrimidin-6-one is sourced from PubChem (CID 15620533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).