5-bromo-4-(ethylamino)-1H-pyrimidin-6-one

C6H8BrN3O — CID 136854287

IUPAC5-bromo-4-(ethylamino)-1H-pyrimidin-6-one
SMILESCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C6H8BrN3O/c1-2-8-5-4(7)6(11)10-3-9-5/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyYZOYRZKEKGIBNE-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.96
Rot. Bonds2

About 5-bromo-4-(ethylamino)-1H-pyrimidin-6-one

5-bromo-4-(ethylamino)-1H-pyrimidin-6-one (PubChem CID 136854287) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 5-bromo-4-(ethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(ethylamino)-1H-pyrimidin-6-one
PubChem CID136854287
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name5-bromo-4-(ethylamino)-1H-pyrimidin-6-one
SMILESCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C6H8BrN3O/c1-2-8-5-4(7)6(11)10-3-9-5/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyYZOYRZKEKGIBNE-UHFFFAOYSA-N
XLogP0.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-(ethylamino)-1H-pyrimidin-6-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

5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one
CID 135621691
6-Amino-5-bromopyrimidin-4(3H)-one
CID 135536918
5-Bromo-2-(2-fluoroethylamino)-3-methylpyrimidin-4-one
CID 170057604
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one
CID 135546467
5-bromo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786688
5-bromo-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136955983
5-bromo-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956609
5-bromo-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136957013
5-bromo-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957050
5-bromo-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957547
5-bromo-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(ethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(ethylamino)-1H-pyrimidin-6-one (CID 136854287) is 5-bromo-4-(ethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(ethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(ethylamino)-1H-pyrimidin-6-one is CCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(ethylamino)-1H-pyrimidin-6-one?
The InChIKey is YZOYRZKEKGIBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-2-8-5-4(7)6(11)10-3-9-5/h3H,2H2,1H3,(H2,8,9,10,11).
What are the key properties of 5-bromo-4-(ethylamino)-1H-pyrimidin-6-one?
5-bromo-4-(ethylamino)-1H-pyrimidin-6-one has a molecular weight of 218.05 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(ethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136854287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).