2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one

C10H6BrF2N3O — CID 135458018

IUPAC2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2cc(F)ccc2F)c(Br)c(=O)[nH]1
InChIInChI=1S/C10H6BrF2N3O/c11-7-8(15-10(14)16-9(7)17)5-3-4(12)1-2-6(5)13/h1-3H,(H3,14,15,16,17)
InChIKeyPPJUTIWEKWGPCG-UHFFFAOYSA-N
MW302.08 g/mol
LogP2.06
Rot. Bonds1

About 2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one

2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one (PubChem CID 135458018) has the molecular formula C10H6BrF2N3O and a molecular weight of 302.08 g/mol. Its IUPAC name is 2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one
PubChem CID135458018
Molecular FormulaC10H6BrF2N3O
Molecular Weight302.08 g/mol
Exact Mass300.97
IUPAC Name2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2cc(F)ccc2F)c(Br)c(=O)[nH]1
InChIInChI=1S/C10H6BrF2N3O/c11-7-8(15-10(14)16-9(7)17)5-3-4(12)1-2-6(5)13/h1-3H,(H3,14,15,16,17)
InChIKeyPPJUTIWEKWGPCG-UHFFFAOYSA-N
XLogP2.06
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.08
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bropirimine
CID 135413497
4-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135434830
4(1H)-Pyrimidinone, 2-amino-5-chloro-6-phenyl-
CID 135480622
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835
2-Amino-6-phenylpyrimidin-4-ol
CID 135420365
4-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one
CID 135434837
2-amino-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136097004
2-Amino-5-bromo-6-(3-fluorophenyl)-4(3H)pyrimidinone
CID 135407143
2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 135444024
2-Amino-6-(4-fluorophenyl)-5-iodo-4(3H)-pyrimidinone
CID 135453598
2-Amino-5-bromo-3-methyl-6-phenylpyrimidin-4-one
CID 13636827
2-Amino-5-iodo-6-(3-fluorophenyl)-4(3H)-pyrimidinone
CID 135401038

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one (CID 135458018) is 2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one is Nc1nc(-c2cc(F)ccc2F)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is PPJUTIWEKWGPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2N3O/c11-7-8(15-10(14)16-9(7)17)5-3-4(12)1-2-6(5)13/h1-3H,(H3,14,15,16,17).
What are the key properties of 2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one?
2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 302.08 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-(2,5-difluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135458018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).