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

C6H7BrClN3O — CID 142962736

IUPAC5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(Cl)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrClN3O/c1-11(2)6-9-4(8)3(7)5(12)10-6/h1-2H3,(H,9,10,12)
InChIKeyZNBXRZJQOUWYMX-UHFFFAOYSA-N
MW252.50 g/mol
LogP1.25
Rot. Bonds1

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

5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 142962736) has the molecular formula C6H7BrClN3O and a molecular weight of 252.50 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID142962736
Molecular FormulaC6H7BrClN3O
Molecular Weight252.50 g/mol
Exact Mass250.95
IUPAC Name5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(Cl)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrClN3O/c1-11(2)6-9-4(8)3(7)5(12)10-6/h1-2H3,(H,9,10,12)
InChIKeyZNBXRZJQOUWYMX-UHFFFAOYSA-N
XLogP1.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.50
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one (CID 142962736) is 5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one is CN(C)c1nc(Cl)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is ZNBXRZJQOUWYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrClN3O/c1-11(2)6-9-4(8)3(7)5(12)10-6/h1-2H3,(H,9,10,12).
What are the key properties of 5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one?
5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 252.50 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 142962736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).