[2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine

C13H14N4O — CID 62250356

IUPAC[2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C13H14N4O/c1-8-6-12(17-14)16-13(15-8)10-2-3-11-9(7-10)4-5-18-11/h2-3,6-7H,4-5,14H2,1H3,(H,15,16,17)
InChIKeyWBULGGGHVJBASR-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.67
Rot. Bonds2

About [2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine

[2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 62250356) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine
PubChem CID62250356
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name[2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C13H14N4O/c1-8-6-12(17-14)16-13(15-8)10-2-3-11-9(7-10)4-5-18-11/h2-3,6-7H,4-5,14H2,1H3,(H,15,16,17)
InChIKeyWBULGGGHVJBASR-UHFFFAOYSA-N
XLogP1.67
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.67
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

[2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560844
[2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250169
[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250495
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine
CID 66295990
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
CID 62203853
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472790
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
CID 43804064
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 43804058

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine (CID 62250356) is [2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of [2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is WBULGGGHVJBASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-6-12(17-14)16-13(15-8)10-2-3-11-9(7-10)4-5-18-11/h2-3,6-7H,4-5,14H2,1H3,(H,15,16,17).
What are the key properties of [2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine?
[2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 242.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62250356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).