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

C5H3BrF3N3O — CID 135480620

IUPAC2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C(F)(F)F)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H3BrF3N3O/c6-1-2(5(7,8)9)11-4(10)12-3(1)13/h(H3,10,11,12,13)
InChIKeyKDUMWKVFLDBWKA-UHFFFAOYSA-N
MW258.00 g/mol
LogP1.13
Rot. Bonds

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

2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135480620) has the molecular formula C5H3BrF3N3O and a molecular weight of 258.00 g/mol. Its IUPAC name is 2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135480620
Molecular FormulaC5H3BrF3N3O
Molecular Weight258.00 g/mol
Exact Mass256.94
IUPAC Name2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C(F)(F)F)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H3BrF3N3O/c6-1-2(5(7,8)9)11-4(10)12-3(1)13/h(H3,10,11,12,13)
InChIKeyKDUMWKVFLDBWKA-UHFFFAOYSA-N
XLogP1.13
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.00
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135480620) is 2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one is Nc1nc(C(F)(F)F)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is KDUMWKVFLDBWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3N3O/c6-1-2(5(7,8)9)11-4(10)12-3(1)13/h(H3,10,11,12,13).
What are the key properties of 2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-amino-5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 258.00 g/mol, XLogP of 1.13, 0 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-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135480620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).