ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate

C8H10ClN5O3 — CID 146387327

IUPACethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNc1cc(Cl)nc(N)n1
InChIInChI=1S/C8H10ClN5O3/c1-2-17-7(16)6(15)14-13-5-3-4(9)11-8(10)12-5/h3H,2H2,1H3,(H,14,15)(H3,10,11,12,13)
InChIKeyTUWZELHHDVZKAR-UHFFFAOYSA-N
MW259.65 g/mol
LogP-0.28
Rot. Bonds3

About ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate

ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate (PubChem CID 146387327) has the molecular formula C8H10ClN5O3 and a molecular weight of 259.65 g/mol. Its IUPAC name is ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate
PubChem CID146387327
Molecular FormulaC8H10ClN5O3
Molecular Weight259.65 g/mol
Exact Mass259.05
IUPAC Nameethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNc1cc(Cl)nc(N)n1
InChIInChI=1S/C8H10ClN5O3/c1-2-17-7(16)6(15)14-13-5-3-4(9)11-8(10)12-5/h3H,2H2,1H3,(H,14,15)(H3,10,11,12,13)
InChIKeyTUWZELHHDVZKAR-UHFFFAOYSA-N
XLogP-0.28
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]butanoate
CID 133363360
N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide
CID 156821364
ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate
CID 133407085
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 112725449
1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea
CID 75524670
methyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]hexanoate
CID 133444300
ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate
CID 619853
6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236
6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
CID 103463549
ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate
CID 12897321
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 79880069
6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine
CID 71978665

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate (CID 146387327) is ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate is CCOC(=O)C(=O)NNc1cc(Cl)nc(N)n1.
What is the InChIKey of ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate?
The InChIKey is TUWZELHHDVZKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O3/c1-2-17-7(16)6(15)14-13-5-3-4(9)11-8(10)12-5/h3H,2H2,1H3,(H,14,15)(H3,10,11,12,13).
What are the key properties of ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate?
ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate has a molecular weight of 259.65 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 146387327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).