4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C15H14N4O2 — CID 135459162

IUPAC4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=Cc2c(C)oc3ccccc23)n1
InChIInChI=1S/C15H14N4O2/c1-9-7-14(20)18-15(17-9)19-16-8-12-10(2)21-13-6-4-3-5-11(12)13/h3-8H,1-2H3,(H2,17,18,19,20)
InChIKeyYPQOHDRFJNUCLR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.58
Rot. Bonds3

About 4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135459162) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135459162
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=Cc2c(C)oc3ccccc23)n1
InChIInChI=1S/C15H14N4O2/c1-9-7-14(20)18-15(17-9)19-16-8-12-10(2)21-13-6-4-3-5-11(12)13/h3-8H,1-2H3,(H2,17,18,19,20)
InChIKeyYPQOHDRFJNUCLR-UHFFFAOYSA-N
XLogP2.58
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.58
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

4-methyl-2-[(2E)-2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135520020
2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676414
2-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135486527
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
2-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136235740
4-(1-benzofuran-2-yl)-1H-pyridazin-6-one
CID 117775372
5-chloro-4-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-1H-pyridazin-6-one
CID 8173791
5-chloro-4-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 8173887
N-[(Z)-(2-butyl-1-benzofuran-3-yl)methylideneamino]-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide
CID 8424760
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide
CID 8424798
[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea
CID 8825924

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 135459162) is 4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NN=Cc2c(C)oc3ccccc23)n1.
What is the InChIKey of 4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is YPQOHDRFJNUCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-7-14(20)18-15(17-9)19-16-8-12-10(2)21-13-6-4-3-5-11(12)13/h3-8H,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 282.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135459162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).