methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate

C8H11ClN4O2S — CID 80922919

IUPACmethyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
SMILESCOC(=O)CCSc1nc(NN)ncc1Cl
InChIInChI=1S/C8H11ClN4O2S/c1-15-6(14)2-3-16-7-5(9)4-11-8(12-7)13-10/h4H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyGXWPCNXRPWJORZ-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.07
Rot. Bonds5

About methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate

methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate (PubChem CID 80922919) has the molecular formula C8H11ClN4O2S and a molecular weight of 262.72 g/mol. Its IUPAC name is methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
PubChem CID80922919
Molecular FormulaC8H11ClN4O2S
Molecular Weight262.72 g/mol
Exact Mass262.03
IUPAC Namemethyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
SMILESCOC(=O)CCSc1nc(NN)ncc1Cl
InChIInChI=1S/C8H11ClN4O2S/c1-15-6(14)2-3-16-7-5(9)4-11-8(12-7)13-10/h4H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyGXWPCNXRPWJORZ-UHFFFAOYSA-N
XLogP1.07
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
CID 80921912
methyl 3-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)sulfanylpropanoate
CID 114045253
methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80899107
5-chloro-2-(3-methoxy-3-oxopropyl)sulfanylpyridine-4-carboxylic acid
CID 114920107
methyl 3-[(5-amino-3-bromo-2-pyridinyl)sulfanyl]propanoate
CID 79535318
[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922146
methyl 3-[(6-chloro-3-pyridinyl)sulfanyl]propanoate
CID 146317804
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 107772950
methyl 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 40669544
methyl 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]propanoate
CID 79399444
2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
CID 80921412
methyl 3-[(5-formyl-3-methyl-2-pyridinyl)sulfanyl]propanoate
CID 80639443

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate?
The IUPAC name of methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate (CID 80922919) is methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate.
What is the SMILES notation for methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate?
The canonical SMILES for methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate is COC(=O)CCSc1nc(NN)ncc1Cl.
What is the InChIKey of methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate?
The InChIKey is GXWPCNXRPWJORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2S/c1-15-6(14)2-3-16-7-5(9)4-11-8(12-7)13-10/h4H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate?
methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate has a molecular weight of 262.72 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate is sourced from PubChem (CID 80922919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).