2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide

C14H16N4O3 — CID 105352171

IUPAC2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H16N4O3/c1-9(13(20)17-15)11-4-2-10(3-5-11)8-18-7-6-12(19)16-14(18)21/h2-7,9H,8,15H2,1H3,(H,17,20)(H,16,19,21)
InChIKeyUSVBMYDIAPZKSM-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.32
Rot. Bonds4

About 2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide

2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide (PubChem CID 105352171) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide
PubChem CID105352171
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H16N4O3/c1-9(13(20)17-15)11-4-2-10(3-5-11)8-18-7-6-12(19)16-14(18)21/h2-7,9H,8,15H2,1H3,(H,17,20)(H,16,19,21)
InChIKeyUSVBMYDIAPZKSM-UHFFFAOYSA-N
XLogP-0.32
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352291
2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide
CID 105352208
2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352178
2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352289
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione
CID 62246916
2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 31353018
5-[(2,4-dioxopyrimidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65293989
2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352253
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360
2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352099

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide (CID 105352171) is 2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide?
The InChIKey is USVBMYDIAPZKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9(13(20)17-15)11-4-2-10(3-5-11)8-18-7-6-12(19)16-14(18)21/h2-7,9H,8,15H2,1H3,(H,17,20)(H,16,19,21).
What are the key properties of 2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide?
2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide has a molecular weight of 288.31 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide is sourced from PubChem (CID 105352171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).