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

C8H6IN3O2 — CID 135480663

IUPAC2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccco2)c(I)c(=O)[nH]1
InChIInChI=1S/C8H6IN3O2/c9-5-6(4-2-1-3-14-4)11-8(10)12-7(5)13/h1-3H,(H3,10,11,12,13)
InChIKeyUFAYJIFWNGBGPT-UHFFFAOYSA-N
MW303.06 g/mol
LogP1.22
Rot. Bonds1

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

2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 135480663) has the molecular formula C8H6IN3O2 and a molecular weight of 303.06 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID135480663
Molecular FormulaC8H6IN3O2
Molecular Weight303.06 g/mol
Exact Mass302.95
IUPAC Name2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccco2)c(I)c(=O)[nH]1
InChIInChI=1S/C8H6IN3O2/c9-5-6(4-2-1-3-14-4)11-8(10)12-7(5)13/h1-3H,(H3,10,11,12,13)
InChIKeyUFAYJIFWNGBGPT-UHFFFAOYSA-N
XLogP1.22
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.06
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(furan-2-ylmethylimino)-5,7-dihydro-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 136055858
4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 70686507
2-Amino-5-bromo-6-(2-furyl)-4(3H)-pyrimidinone
CID 135480662
2-Furancarboxamide, N-(aminoiminomethyl)-
CID 3039131
2-Amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 137086378
2-amino-5-chloro-4-(2-furyl)-1H-pyrimidin-6-one
CID 135435164
4,6(1H,5H)-Pyrimidinedione, 2-((2-furanylmethyl)amino)-
CID 135416863
4,6(1H,5H)-Pyrimidinedione, 5-allyl-2-(furfurylamino)-
CID 135416865
US10975084, Example 8-24
CID 17355042
2-Amino-6-(2-furylmethylamino)-1h-pyrimidin-4-one
CID 135408630
4-(2-Furyl)-6-oxo-2-(1-piperidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile
CID 135448846
2-amino-5-fluoro-6-furan-2-yl-3H-pyrimidin-4-one
CID 135724995

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one (CID 135480663) is 2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one is Nc1nc(-c2ccco2)c(I)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is UFAYJIFWNGBGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN3O2/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-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one?
2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 303.06 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 135480663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).