4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C11H12N4O2 — CID 135476878

IUPAC4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc(C)o2)n1
InChIInChI=1S/C11H12N4O2/c1-7-5-10(16)14-11(13-7)15-12-6-9-4-3-8(2)17-9/h3-6H,1-2H3,(H2,13,14,15,16)/b12-6+
InChIKeyKKFLWEROVPBRFP-WUXMJOGZSA-N
MW232.24 g/mol
LogP1.43
Rot. Bonds3

About 4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135476878) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135476878
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc(C)o2)n1
InChIInChI=1S/C11H12N4O2/c1-7-5-10(16)14-11(13-7)15-12-6-9-4-3-8(2)17-9/h3-6H,1-2H3,(H2,13,14,15,16)/b12-6+
InChIKeyKKFLWEROVPBRFP-WUXMJOGZSA-N
XLogP1.43
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676414
2-(2-(Furan-2-ylmethylene)hydrazinyl)-6-methylpyrimidin-4-ol
CID 135454397
5-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 5942931
2-[(2E)-1-Methyl-2-[(5-methylfuran-2-YL)methylidene]hydrazin-1-YL]-4,5-dihydro-1H-imidazole
CID 9644824
5-[2-[(5-methyl-2-furanyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789183
2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135439368
(4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135450762
2-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135486527
5-fluoro-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one
CID 59160692
2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135788567
2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824537
(Z)-4-chloro-5-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)pyridazin-3(2H)-one
CID 6376210

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 135476878) is 4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/c2ccc(C)o2)n1.
What is the InChIKey of 4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is KKFLWEROVPBRFP-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-5-10(16)14-11(13-7)15-12-6-9-4-3-8(2)17-9/h3-6H,1-2H3,(H2,13,14,15,16)/b12-6+.
What are the key properties of 4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 232.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135476878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).