5-bromo-1H-pyrimidin-6-one;hydrobromide

C4H4Br2N2O — CID 67218462

IUPAC5-bromo-1H-pyrimidin-6-one;hydrobromide
SMILESBr.O=c1[nH]cncc1Br
InChIInChI=1S/C4H3BrN2O.BrH/c5-3-1-6-2-7-4(3)8;/h1-2H,(H,6,7,8);1H
InChIKeyFKEMMRSJRCDQPG-UHFFFAOYSA-N
MW255.90 g/mol
LogP1.11
Rot. Bonds

About 5-bromo-1H-pyrimidin-6-one;hydrobromide

5-bromo-1H-pyrimidin-6-one;hydrobromide (PubChem CID 67218462) has the molecular formula C4H4Br2N2O and a molecular weight of 255.90 g/mol. Its IUPAC name is 5-bromo-1H-pyrimidin-6-one;hydrobromide.

Molecular Properties

Compound Name5-bromo-1H-pyrimidin-6-one;hydrobromide
PubChem CID67218462
Molecular FormulaC4H4Br2N2O
Molecular Weight255.90 g/mol
Exact Mass253.87
IUPAC Name5-bromo-1H-pyrimidin-6-one;hydrobromide
SMILESBr.O=c1[nH]cncc1Br
InChIInChI=1S/C4H3BrN2O.BrH/c5-3-1-6-2-7-4(3)8;/h1-2H,(H,6,7,8);1H
InChIKeyFKEMMRSJRCDQPG-UHFFFAOYSA-N
XLogP1.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.90
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4(3H)-Pyrimidinone, 5-bromo-
CID 88256
5-Bromo-3-methyl-4(3H)-pyrimidinone
CID 824635
2-amino-5-bromo-4(3H)-pyrimidinone
CID 512016
6-Amino-5-bromopyrimidin-4(3H)-one
CID 135536918
1H-pyrimidin-6-one;dihydrobromide
CID 141208912
CID 169794892
CID 169794892
2-Amino-5-bromopyrimidin-4-ol hydrobromide
CID 52987636
5-Bromo-3-(2-bromoethyl)pyrimidin-4-one
CID 66309757
5-Bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one
CID 66311063
5-Bromo-2-(methylamino)-3,4-dihydropyrimidin-4-one
CID 66315116
1,5-Dihydropyrimidin-5-ylium-6-one
CID 101184477
5,6-Dibromopyrimidin-4-ol
CID 135741816

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrimidin-6-one;hydrobromide?
The IUPAC name of 5-bromo-1H-pyrimidin-6-one;hydrobromide (CID 67218462) is 5-bromo-1H-pyrimidin-6-one;hydrobromide.
What is the SMILES notation for 5-bromo-1H-pyrimidin-6-one;hydrobromide?
The canonical SMILES for 5-bromo-1H-pyrimidin-6-one;hydrobromide is Br.O=c1[nH]cncc1Br.
What is the InChIKey of 5-bromo-1H-pyrimidin-6-one;hydrobromide?
The InChIKey is FKEMMRSJRCDQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2O.BrH/c5-3-1-6-2-7-4(3)8;/h1-2H,(H,6,7,8);1H.
What are the key properties of 5-bromo-1H-pyrimidin-6-one;hydrobromide?
5-bromo-1H-pyrimidin-6-one;hydrobromide has a molecular weight of 255.90 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyrimidin-6-one;hydrobromide is sourced from PubChem (CID 67218462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).