2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid

C14H14N4O4 — CID 135619124

IUPAC2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCc1cc(=O)[nH]c(N/N=C\c2ccccc2OCC(=O)O)n1
InChIInChI=1S/C14H14N4O4/c1-9-6-12(19)17-14(16-9)18-15-7-10-4-2-3-5-11(10)22-8-13(20)21/h2-7H,8H2,1H3,(H,20,21)(H2,16,17,18,19)/b15-7-
InChIKeyPYCAYBBLXJEQFR-CHHVJCJISA-N
MW302.29 g/mol
LogP0.99
Rot. Bonds6

About 2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 135619124) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID135619124
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCc1cc(=O)[nH]c(N/N=C\c2ccccc2OCC(=O)O)n1
InChIInChI=1S/C14H14N4O4/c1-9-6-12(19)17-14(16-9)18-15-7-10-4-2-3-5-11(10)22-8-13(20)21/h2-7H,8H2,1H3,(H,20,21)(H2,16,17,18,19)/b15-7-
InChIKeyPYCAYBBLXJEQFR-CHHVJCJISA-N
XLogP0.99
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid 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-[(2E)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676351
2-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920913
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
2-[(2E)-2-[(2,3-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824191
4-ethyl-2-[(2Z)-2-[(2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787707
4-methyl-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135520022
4-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135483293
2-[2-methoxy-4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 136740591
4-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135454398
2-[(2E)-2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136733641
4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788283

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 135619124) is 2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid is Cc1cc(=O)[nH]c(N/N=C\c2ccccc2OCC(=O)O)n1.
What is the InChIKey of 2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is PYCAYBBLXJEQFR-CHHVJCJISA-N. The full InChI is InChI=1S/C14H14N4O4/c1-9-6-12(19)17-14(16-9)18-15-7-10-4-2-3-5-11(10)22-8-13(20)21/h2-7H,8H2,1H3,(H,20,21)(H2,16,17,18,19)/b15-7-.
What are the key properties of 2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 302.29 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 135619124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).