5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one

C10H11BrN4O — CID 114530992

IUPAC5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
SMILESCn1ccnc1CCn1cncc(Br)c1=O
InChIInChI=1S/C10H11BrN4O/c1-14-5-3-13-9(14)2-4-15-7-12-6-8(11)10(15)16/h3,5-7H,2,4H2,1H3
InChIKeyHOSIPGDCIMXCQS-UHFFFAOYSA-N
MW283.13 g/mol
LogP0.98
Rot. Bonds3

About 5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one

5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one (PubChem CID 114530992) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
PubChem CID114530992
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
SMILESCn1ccnc1CCn1cncc(Br)c1=O
InChIInChI=1S/C10H11BrN4O/c1-14-5-3-13-9(14)2-4-15-7-12-6-8(11)10(15)16/h3,5-7H,2,4H2,1H3
InChIKeyHOSIPGDCIMXCQS-UHFFFAOYSA-N
XLogP0.98
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one
CID 114531001
(1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942632
N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66151369
5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82875940
5-bromo-3-pent-3-ynylpyrimidin-4-one
CID 104745910
5-bromo-3-[3-(methylamino)propyl]pyrimidin-4-one
CID 66310640
5-bromo-3-(3-methylbut-3-enyl)pyrimidin-4-one
CID 114447977
6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114585109
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
5-bromo-3-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrimidin-4-one
CID 66309579
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
CID 114719151

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one (CID 114530992) is 5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one is Cn1ccnc1CCn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is HOSIPGDCIMXCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-14-5-3-13-9(14)2-4-15-7-12-6-8(11)10(15)16/h3,5-7H,2,4H2,1H3.
What are the key properties of 5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one?
5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 283.13 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114530992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).