(2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate

C8H9N4O3- — CID 135593603

IUPAC(2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate
SMILESC/C(=N\Nc1nc(C)cc(=O)[nH]1)C(=O)[O-]
InChIInChI=1S/C8H10N4O3/c1-4-3-6(13)10-8(9-4)12-11-5(2)7(14)15/h3H,1-2H3,(H,14,15)(H2,9,10,12,13)/p-1/b11-5+
InChIKeyWRWMCDGJBXKZQH-VZUCSPMQSA-M
MW209.19 g/mol
LogP-1.38
Rot. Bonds3

About (2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate

(2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate (PubChem CID 135593603) has the molecular formula C8H9N4O3- and a molecular weight of 209.19 g/mol. Its IUPAC name is (2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate.

Molecular Properties

Compound Name(2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate
PubChem CID135593603
Molecular FormulaC8H9N4O3-
Molecular Weight209.19 g/mol
Exact Mass209.07
IUPAC Name(2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate
SMILESC/C(=N\Nc1nc(C)cc(=O)[nH]1)C(=O)[O-]
InChIInChI=1S/C8H10N4O3/c1-4-3-6(13)10-8(9-4)12-11-5(2)7(14)15/h3H,1-2H3,(H,14,15)(H2,9,10,12,13)/p-1/b11-5+
InChIKeyWRWMCDGJBXKZQH-VZUCSPMQSA-M
XLogP-1.38
TPSA110.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-methyl-2-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460315
2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
CID 135521075
4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135435247
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide
CID 137229327
2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135465283
2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135435551
2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135458782
2-[(2Z)-2-[1-(3-chlorophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824185
2-[(2Z)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824144
2-[(2E)-2-[(E)-1,3-diphenylbut-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136795191
2-[(2E)-2-[1-(5-chloro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824258
N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide
CID 135509500

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate?
The IUPAC name of (2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate (CID 135593603) is (2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate.
What is the SMILES notation for (2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate?
The canonical SMILES for (2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate is C/C(=N\Nc1nc(C)cc(=O)[nH]1)C(=O)[O-].
What is the InChIKey of (2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate?
The InChIKey is WRWMCDGJBXKZQH-VZUCSPMQSA-M. The full InChI is InChI=1S/C8H10N4O3/c1-4-3-6(13)10-8(9-4)12-11-5(2)7(14)15/h3H,1-2H3,(H,14,15)(H2,9,10,12,13)/p-1/b11-5+.
What are the key properties of (2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate?
(2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate has a molecular weight of 209.19 g/mol, XLogP of -1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate is sourced from PubChem (CID 135593603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).