2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one

C10H10N4O2 — CID 136644785

IUPAC2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(/N=N/Cc2ccco2)n1
InChIInChI=1S/C10H10N4O2/c1-7-5-9(15)13-10(12-7)14-11-6-8-3-2-4-16-8/h2-5H,6H2,1H3,(H,12,13,15)/b14-11+
InChIKeyDAFMJTTVGCVNAO-SDNWHVSQSA-N
MW218.22 g/mol
LogP1.96
Rot. Bonds3

About 2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one

2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136644785) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136644785
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(/N=N/Cc2ccco2)n1
InChIInChI=1S/C10H10N4O2/c1-7-5-9(15)13-10(12-7)14-11-6-8-3-2-4-16-8/h2-5H,6H2,1H3,(H,12,13,15)/b14-11+
InChIKeyDAFMJTTVGCVNAO-SDNWHVSQSA-N
XLogP1.96
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

furan-2-ylmethyl(phenyl)diazene
CID 54435222
2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135747235
S-(4-methyl-6-oxo-1H-pyrimidin-2-yl) furan-2-carbothioate
CID 135515749
2-[(1R)-1-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137024703
(4S)-2-(furan-2-ylmethylimino)-8-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 136718427
2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
CID 135824234
2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
CID 135824238
6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one
CID 165345963
2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 135418993
4-(furan-2-ylmethylsulfanyl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053250
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2-[(4E)-4-(furan-2-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137242198

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one (CID 136644785) is 2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(/N=N/Cc2ccco2)n1.
What is the InChIKey of 2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DAFMJTTVGCVNAO-SDNWHVSQSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-5-9(15)13-10(12-7)14-11-6-8-3-2-4-16-8/h2-5H,6H2,1H3,(H,12,13,15)/b14-11+.
What are the key properties of 2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one?
2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 218.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyldiazenyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136644785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).