[(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine

C14H14N4O — CID 105203566

IUPAC[(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine
SMILESCc1ccc2oc(C(NN)c3ncccn3)cc2c1
InChIInChI=1S/C14H14N4O/c1-9-3-4-11-10(7-9)8-12(19-11)13(18-15)14-16-5-2-6-17-14/h2-8,13,18H,15H2,1H3
InChIKeyRITRSNUEYGDWQM-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.08
Rot. Bonds3

About [(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine

[(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine (PubChem CID 105203566) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is [(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine
PubChem CID105203566
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name[(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine
SMILESCc1ccc2oc(C(NN)c3ncccn3)cc2c1
InChIInChI=1S/C14H14N4O/c1-9-3-4-11-10(7-9)8-12(19-11)13(18-15)14-16-5-2-6-17-14/h2-8,13,18H,15H2,1H3
InChIKeyRITRSNUEYGDWQM-UHFFFAOYSA-N
XLogP2.08
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(5-methyl-1-benzofuran-2-yl)-pyridin-2-ylmethyl]hydrazine
CID 105195743
[(3-fluoro-2-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105257714
[(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105194545
[(5-chloro-1-benzofuran-2-yl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209118
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114727953
[(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105211506
[(5-methyl-1-benzofuran-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313231
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
[(2-ethyl-1,2,4-triazol-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 112744358
[(2,5-dichlorothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 107970618
[(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105322592
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848

Frequently Asked Questions

What is the IUPAC name of [(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine?
The IUPAC name of [(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine (CID 105203566) is [(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine.
What is the SMILES notation for [(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine?
The canonical SMILES for [(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine is Cc1ccc2oc(C(NN)c3ncccn3)cc2c1.
What is the InChIKey of [(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine?
The InChIKey is RITRSNUEYGDWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-3-4-11-10(7-9)8-12(19-11)13(18-15)14-16-5-2-6-17-14/h2-8,13,18H,15H2,1H3.
What are the key properties of [(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine?
[(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine has a molecular weight of 254.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine is sourced from PubChem (CID 105203566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).