ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate

C11H11ClN4O2S — CID 131850390

IUPACethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NN)nc1-c1ccc(Cl)s1
InChIInChI=1S/C11H11ClN4O2S/c1-2-18-10(17)6-5-14-11(16-13)15-9(6)7-3-4-8(12)19-7/h3-5H,2,13H2,1H3,(H,14,15,16)
InChIKeyRRIBRBNPLAXBFN-UHFFFAOYSA-N
MW298.76 g/mol
LogP2.32
Rot. Bonds4

About ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate

ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate (PubChem CID 131850390) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.76 g/mol. Its IUPAC name is ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate
PubChem CID131850390
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.76 g/mol
Exact Mass298.03
IUPAC Nameethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NN)nc1-c1ccc(Cl)s1
InChIInChI=1S/C11H11ClN4O2S/c1-2-18-10(17)6-5-14-11(16-13)15-9(6)7-3-4-8(12)19-7/h3-5H,2,13H2,1H3,(H,14,15,16)
InChIKeyRRIBRBNPLAXBFN-UHFFFAOYSA-N
XLogP2.32
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 52.32
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

ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate
CID 21220622
ethyl 2-hydrazinyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carboxylate
CID 21220651
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
ethyl 4-chloro-2-[(3-ethoxy-3-oxopropyl)amino]pyrimidine-5-carboxylate
CID 174635272
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
ethyl 4-(chloromethyl)-2-(methylamino)pyrimidine-5-carboxylate
CID 102973317
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 2-anilino-4-(4-fluorophenyl)pyrimidine-5-carboxylate
CID 12690152
ethyl 2-(3,5-dichloroanilino)-4-methylpyrimidine-5-carboxylate
CID 17121379
ethyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 71601643
ethyl 2-bromo-4-chloropyrimidine-5-carboxylate
CID 131528949

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate (CID 131850390) is ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(NN)nc1-c1ccc(Cl)s1.
What is the InChIKey of ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate?
The InChIKey is RRIBRBNPLAXBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c1-2-18-10(17)6-5-14-11(16-13)15-9(6)7-3-4-8(12)19-7/h3-5H,2,13H2,1H3,(H,14,15,16).
What are the key properties of ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate?
ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate has a molecular weight of 298.76 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-chlorothiophen-2-yl)-2-hydrazinylpyrimidine-5-carboxylate is sourced from PubChem (CID 131850390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).