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

C8H6FN3O2 — CID 135724995

IUPAC2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccco2)c(F)c(=O)[nH]1
InChIInChI=1S/C8H6FN3O2/c9-5-6(4-2-1-3-14-4)11-8(10)12-7(5)13/h1-3H,(H3,10,11,12,13)
InChIKeyKOOWDZXZUWGJAO-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.75
Rot. Bonds1

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

2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one (PubChem CID 135724995) has the molecular formula C8H6FN3O2 and a molecular weight of 195.15 g/mol. Its IUPAC name is 2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one
PubChem CID135724995
Molecular FormulaC8H6FN3O2
Molecular Weight195.15 g/mol
Exact Mass195.04
IUPAC Name2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccco2)c(F)c(=O)[nH]1
InChIInChI=1S/C8H6FN3O2/c9-5-6(4-2-1-3-14-4)11-8(10)12-7(5)13/h1-3H,(H3,10,11,12,13)
InChIKeyKOOWDZXZUWGJAO-UHFFFAOYSA-N
XLogP0.75
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one
CID 59457637
5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
CID 23020456
4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine
CID 18507211
4,5,6-trifluoro-2-(furan-2-yl)pyrimidine
CID 164652179
5-amino-4-(furan-2-yl)-1H-pyridazin-6-one
CID 117127370
5-amino-3-(furan-2-yl)-1H-pyridazin-6-one
CID 51589117
3-(furan-2-yl)quinoxalin-2-amine
CID 102364345
2-amino-3H-furo[2,3-d]pyrimidin-4-one
CID 13302347
4-(furan-2-yl)-1,3-oxazol-5-amine
CID 96636219
5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 18507317
6-chloro-2-(furan-2-yl)-4-methylpyridin-3-amine
CID 59355428
2-(2,3,4,5,6-pentafluorophenyl)furan
CID 14644888

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one (CID 135724995) is 2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one is Nc1nc(-c2ccco2)c(F)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is KOOWDZXZUWGJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2/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-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one?
2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 195.15 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135724995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).