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

C6H9BrN4O — CID 137198828

IUPAC4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(N)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H9BrN4O/c1-11(2)6-9-4(8)3(7)5(12)10-6/h1-2H3,(H3,8,9,10,12)
InChIKeyKUJKTTPAUUIAHV-UHFFFAOYSA-N
MW233.07 g/mol
LogP0.18
Rot. Bonds1

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

4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 137198828) has the molecular formula C6H9BrN4O and a molecular weight of 233.07 g/mol. Its IUPAC name is 4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID137198828
Molecular FormulaC6H9BrN4O
Molecular Weight233.07 g/mol
Exact Mass232.00
IUPAC Name4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(N)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H9BrN4O/c1-11(2)6-9-4(8)3(7)5(12)10-6/h1-2H3,(H3,8,9,10,12)
InChIKeyKUJKTTPAUUIAHV-UHFFFAOYSA-N
XLogP0.18
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one (CID 137198828) is 4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one is CN(C)c1nc(N)c(Br)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is KUJKTTPAUUIAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4O/c1-11(2)6-9-4(8)3(7)5(12)10-6/h1-2H3,(H3,8,9,10,12).
What are the key properties of 4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one?
4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 233.07 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137198828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).