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

C8H7N3O2 — CID 135581712

IUPAC4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(-c2ccco2)n1
InChIInChI=1S/C8H7N3O2/c9-6-4-7(12)11-8(10-6)5-2-1-3-13-5/h1-4H,(H3,9,10,11,12)
InChIKeyHEHNLOYMBNTESC-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.61
Rot. Bonds1

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

4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one (PubChem CID 135581712) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one
PubChem CID135581712
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(-c2ccco2)n1
InChIInChI=1S/C8H7N3O2/c9-6-4-7(12)11-8(10-6)5-2-1-3-13-5/h1-4H,(H3,9,10,11,12)
InChIKeyHEHNLOYMBNTESC-UHFFFAOYSA-N
XLogP0.61
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Furan-2-yl-4,5-dihydro-1H-imidazole
CID 840808
N-(furan-2-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860102
2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 1083179
2-(2-Furyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
CID 135414351
methyl 2-(furan-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 135466442
4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135849728
N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 5310240
Agn-PC-0niclx
CID 12280902
4(3H)-Pyrimidinone, 3,6-dimethyl-2-(5-methyl-2-furanyl)-
CID 453097
N-(furan-2-ylmethyl)-3-(4-oxo-4H-pyrido[2,1-c][1,2,4]triazin-3-yl)propanamide
CID 71702960
4-Amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one
CID 46903647
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 135404092

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one (CID 135581712) is 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(-c2ccco2)n1.
What is the InChIKey of 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is HEHNLOYMBNTESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-6-4-7(12)11-8(10-6)5-2-1-3-13-5/h1-4H,(H3,9,10,11,12).
What are the key properties of 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one?
4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 177.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135581712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).