ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate

C10H15N5O3S — CID 10085330

IUPACethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(NNC(C)=O)nc(N)nc1SC
InChIInChI=1S/C10H15N5O3S/c1-4-18-9(17)6-7(15-14-5(2)16)12-10(11)13-8(6)19-3/h4H2,1-3H3,(H,14,16)(H3,11,12,13,15)
InChIKeyBDZJBYJUMGSVEG-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.42
Rot. Bonds5

About ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate

ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate (PubChem CID 10085330) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate
PubChem CID10085330
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Nameethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(NNC(C)=O)nc(N)nc1SC
InChIInChI=1S/C10H15N5O3S/c1-4-18-9(17)6-7(15-14-5(2)16)12-10(11)13-8(6)19-3/h4H2,1-3H3,(H,14,16)(H3,11,12,13,15)
InChIKeyBDZJBYJUMGSVEG-UHFFFAOYSA-N
XLogP0.42
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate (CID 10085330) is ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate is CCOC(=O)c1c(NNC(C)=O)nc(N)nc1SC.
What is the InChIKey of ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate?
The InChIKey is BDZJBYJUMGSVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-4-18-9(17)6-7(15-14-5(2)16)12-10(11)13-8(6)19-3/h4H2,1-3H3,(H,14,16)(H3,11,12,13,15).
What are the key properties of ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate?
ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate has a molecular weight of 285.33 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-acetylhydrazinyl)-2-amino-6-methylsulfanylpyrimidine-5-carboxylate is sourced from PubChem (CID 10085330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).