2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one

C12H14N4O2 — CID 135543988

IUPAC2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(NN=Cc2ccco2)n1
InChIInChI=1S/C12H14N4O2/c1-2-4-9-7-11(17)15-12(14-9)16-13-8-10-5-3-6-18-10/h3,5-8H,2,4H2,1H3,(H2,14,15,16,17)
InChIKeyKDDIARKUDGUDNU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.76
Rot. Bonds5

About 2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one

2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one (PubChem CID 135543988) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one
PubChem CID135543988
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(NN=Cc2ccco2)n1
InChIInChI=1S/C12H14N4O2/c1-2-4-9-7-11(17)15-12(14-9)16-13-8-10-5-3-6-18-10/h3,5-8H,2,4H2,1H3,(H2,14,15,16,17)
InChIKeyKDDIARKUDGUDNU-UHFFFAOYSA-N
XLogP1.76
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.76
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-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135747235
2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135893842
4-[(Z)-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)hydrazinylidene]methyl]benzoic acid
CID 135708304
2-[(2E)-2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136732970
2-[(2E)-2-[(3-ethoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136733647
2-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136732880
2-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135611327
2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135598816
2-[(2E)-2-[(4-butoxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136733214
2-[(2E)-2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136733379
2-[(2E)-2-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136733347
4-ethyl-2-[(2Z)-2-[(2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787707

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one (CID 135543988) is 2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(NN=Cc2ccco2)n1.
What is the InChIKey of 2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is KDDIARKUDGUDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-4-9-7-11(17)15-12(14-9)16-13-8-10-5-3-6-18-10/h3,5-8H,2,4H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one?
2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 246.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135543988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).