[1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine

C13H14N4O — CID 105292111

IUPAC[1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine
SMILESNNC(c1cncnc1)c1ccc2c(c1)COC2
InChIInChI=1S/C13H14N4O/c14-17-13(12-4-15-8-16-5-12)9-1-2-10-6-18-7-11(10)3-9/h1-5,8,13,17H,6-7,14H2
InChIKeyNXURLUMRBRJKBP-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.06
Rot. Bonds3

About [1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine

[1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine (PubChem CID 105292111) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is [1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine
PubChem CID105292111
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name[1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine
SMILESNNC(c1cncnc1)c1ccc2c(c1)COC2
InChIInChI=1S/C13H14N4O/c14-17-13(12-4-15-8-16-5-12)9-1-2-10-6-18-7-11(10)3-9/h1-5,8,13,17H,6-7,14H2
InChIKeyNXURLUMRBRJKBP-UHFFFAOYSA-N
XLogP1.06
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.06
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

[1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methyl]hydrazine
CID 105308643
[1,3-dihydro-2-benzofuran-5-yl-(3-ethoxyphenyl)methyl]hydrazine
CID 105328022
1-(1,3-dihydro-2-benzofuran-5-yl)propylhydrazine
CID 105281849
[(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine
CID 105337137
[(4-phenylphenyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924210
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
[(2,6-dimethyl-4-pyridinyl)-pyrimidin-5-ylmethyl]hydrazine
CID 107505050
[(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924271
1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine
CID 105026056
1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine
CID 105307835
[(4-propan-2-yloxyphenyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924195
[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316122

Frequently Asked Questions

What is the IUPAC name of [1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine?
The IUPAC name of [1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine (CID 105292111) is [1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine.
What is the SMILES notation for [1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine?
The canonical SMILES for [1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine is NNC(c1cncnc1)c1ccc2c(c1)COC2.
What is the InChIKey of [1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine?
The InChIKey is NXURLUMRBRJKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-17-13(12-4-15-8-16-5-12)9-1-2-10-6-18-7-11(10)3-9/h1-5,8,13,17H,6-7,14H2.
What are the key properties of [1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine?
[1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine has a molecular weight of 242.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dihydro-2-benzofuran-5-yl(pyrimidin-5-yl)methyl]hydrazine is sourced from PubChem (CID 105292111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).