N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide

C15H16N4O2 — CID 46581863

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C15H16N4O2/c1-9-7-10(2)17-15(16-9)19-18-14(20)12-3-4-13-11(8-12)5-6-21-13/h3-4,7-8H,5-6H2,1-2H3,(H,18,20)(H,16,17,19)
InChIKeyXFTYUBMXTATBSA-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.79
Rot. Bonds3

About N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide (PubChem CID 46581863) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide
PubChem CID46581863
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C15H16N4O2/c1-9-7-10(2)17-15(16-9)19-18-14(20)12-3-4-13-11(8-12)5-6-21-13/h3-4,7-8H,5-6H2,1-2H3,(H,18,20)(H,16,17,19)
InChIKeyXFTYUBMXTATBSA-UHFFFAOYSA-N
XLogP1.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46412653
N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide
CID 78851667
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 61261538
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide
CID 55578936
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114618555
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32635881
N-(3,3-dimethyl-2-oxobutyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 64992032
N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693409

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide (CID 46581863) is N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide is Cc1cc(C)nc(NNC(=O)c2ccc3c(c2)CCO3)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide?
The InChIKey is XFTYUBMXTATBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-7-10(2)17-15(16-9)19-18-14(20)12-3-4-13-11(8-12)5-6-21-13/h3-4,7-8H,5-6H2,1-2H3,(H,18,20)(H,16,17,19).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide has a molecular weight of 284.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide is sourced from PubChem (CID 46581863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).