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

C8H6BrN3O2 — CID 135480662

IUPAC2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccco2)c(Br)c(=O)[nH]1
InChIInChI=1S/C8H6BrN3O2/c9-5-6(4-2-1-3-14-4)11-8(10)12-7(5)13/h1-3H,(H3,10,11,12,13)
InChIKeyHCBYNSUXKHUWDG-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.37
Rot. Bonds1

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

2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one (PubChem CID 135480662) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one
PubChem CID135480662
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccco2)c(Br)c(=O)[nH]1
InChIInChI=1S/C8H6BrN3O2/c9-5-6(4-2-1-3-14-4)11-8(10)12-7(5)13/h1-3H,(H3,10,11,12,13)
InChIKeyHCBYNSUXKHUWDG-UHFFFAOYSA-N
XLogP1.37
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-bromo-4-(furan-2-yl)-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

2-amino-6-(furan-2-ylmethylimino)-5,7-dihydro-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 136055858
2-Amino-6-(2-furyl)-5-iodo-4(3H)-pyrimidinone
CID 135480663
4,6(1H,5H)-Pyrimidinedione, 2-((2-furanylmethyl)amino)-
CID 135416863
2-amino-5-chloro-4-(2-furyl)-1H-pyrimidin-6-one
CID 135435164
6-(Furan-2-yl)pyrimidin-4-ol
CID 135876281
US10975084, Example 8-24
CID 17355042
2-Amino-6-(2-furylmethylamino)-1h-pyrimidin-4-one
CID 135408630
2-amino-5-fluoro-6-furan-2-yl-3H-pyrimidin-4-one
CID 135724995
5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione
CID 151370749
2-[(2-Furylmethyl)amino]-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388282
5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one
CID 136673206
4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802860

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one (CID 135480662) is 2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one is Nc1nc(-c2ccco2)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is HCBYNSUXKHUWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-5-6(4-2-1-3-14-4)11-8(10)12-7(5)13/h1-3H,(H3,10,11,12,13).
What are the key properties of 2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one?
2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 256.06 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-(furan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135480662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).