1H-pyrimidin-6-one;dihydrobromide

C4H6Br2N2O — CID 141208912

IUPAC1H-pyrimidin-6-one;dihydrobromide
SMILESBr.Br.O=c1ccnc[nH]1
InChIInChI=1S/C4H4N2O.2BrH/c7-4-1-2-5-3-6-4;;/h1-3H,(H,5,6,7);2*1H
InChIKeyUUWPEGWIJBRQKV-UHFFFAOYSA-N
MW257.91 g/mol
LogP0.93
Rot. Bonds

About 1H-pyrimidin-6-one;dihydrobromide

1H-pyrimidin-6-one;dihydrobromide (PubChem CID 141208912) has the molecular formula C4H6Br2N2O and a molecular weight of 257.91 g/mol. Its IUPAC name is 1H-pyrimidin-6-one;dihydrobromide.

Molecular Properties

Compound Name1H-pyrimidin-6-one;dihydrobromide
PubChem CID141208912
Molecular FormulaC4H6Br2N2O
Molecular Weight257.91 g/mol
Exact Mass255.88
IUPAC Name1H-pyrimidin-6-one;dihydrobromide
SMILESBr.Br.O=c1ccnc[nH]1
InChIInChI=1S/C4H4N2O.2BrH/c7-4-1-2-5-3-6-4;;/h1-3H,(H,5,6,7);2*1H
InChIKeyUUWPEGWIJBRQKV-UHFFFAOYSA-N
XLogP0.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.91
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-pyrimidin-6-one;dihydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidin-6-one;dihydrobromide?
The IUPAC name of 1H-pyrimidin-6-one;dihydrobromide (CID 141208912) is 1H-pyrimidin-6-one;dihydrobromide.
What is the SMILES notation for 1H-pyrimidin-6-one;dihydrobromide?
The canonical SMILES for 1H-pyrimidin-6-one;dihydrobromide is Br.Br.O=c1ccnc[nH]1.
What is the InChIKey of 1H-pyrimidin-6-one;dihydrobromide?
The InChIKey is UUWPEGWIJBRQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.2BrH/c7-4-1-2-5-3-6-4;;/h1-3H,(H,5,6,7);2*1H.
What are the key properties of 1H-pyrimidin-6-one;dihydrobromide?
1H-pyrimidin-6-one;dihydrobromide has a molecular weight of 257.91 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidin-6-one;dihydrobromide is sourced from PubChem (CID 141208912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).