5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one

C6H7BrFN3O — CID 135546467

IUPAC5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one
SMILESCCNc1nc(F)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrFN3O/c1-2-9-6-10-4(8)3(7)5(12)11-6/h2H2,1H3,(H2,9,10,11,12)
InChIKeyOZNNEVGWPZJITB-UHFFFAOYSA-N
MW236.04 g/mol
LogP1.10
Rot. Bonds2

About 5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one

5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one (PubChem CID 135546467) has the molecular formula C6H7BrFN3O and a molecular weight of 236.04 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one
PubChem CID135546467
Molecular FormulaC6H7BrFN3O
Molecular Weight236.04 g/mol
Exact Mass234.98
IUPAC Name5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one
SMILESCCNc1nc(F)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrFN3O/c1-2-9-6-10-4(8)3(7)5(12)11-6/h2H2,1H3,(H2,9,10,11,12)
InChIKeyOZNNEVGWPZJITB-UHFFFAOYSA-N
XLogP1.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.04
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one
CID 135546460
5-Bromo-2-(2-fluoroethylamino)-3-methylpyrimidin-4-one
CID 170057604
2-Amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one
CID 10176854
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-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957547
5-bromo-4-(1,1-difluoropropan-2-ylamino)-1H-pyrimidin-6-one
CID 137257859
5-bromo-4-(1,1,1-trifluoropropan-2-ylamino)-1H-pyrimidin-6-one
CID 137265152
4-bromo-2-(methylamino)-1H-pyrimidin-6-one
CID 153660480
5-Bromo-2-(ethylamino)-3-methylpyrimidin-4-one
CID 168966508
5-Bromo-2-(methylamino)-3,4-dihydropyrimidin-4-one
CID 66315116

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one (CID 135546467) is 5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one is CCNc1nc(F)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one?
The InChIKey is OZNNEVGWPZJITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFN3O/c1-2-9-6-10-4(8)3(7)5(12)11-6/h2H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one?
5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one has a molecular weight of 236.04 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 135546467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).