ethyl 4-hydrazinylpyrimidine-5-carboxylate

C7H10N4O2 — CID 21220648

IUPACethyl 4-hydrazinylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1NN
InChIInChI=1S/C7H10N4O2/c1-2-13-7(12)5-3-9-4-10-6(5)11-8/h3-4H,2,8H2,1H3,(H,9,10,11)
InChIKeyOJHDMCNNGMVIPD-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.06
Rot. Bonds3

About ethyl 4-hydrazinylpyrimidine-5-carboxylate

ethyl 4-hydrazinylpyrimidine-5-carboxylate (PubChem CID 21220648) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is ethyl 4-hydrazinylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydrazinylpyrimidine-5-carboxylate
PubChem CID21220648
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Nameethyl 4-hydrazinylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1NN
InChIInChI=1S/C7H10N4O2/c1-2-13-7(12)5-3-9-4-10-6(5)11-8/h3-4H,2,8H2,1H3,(H,9,10,11)
InChIKeyOJHDMCNNGMVIPD-UHFFFAOYSA-N
XLogP-0.06
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 974047
5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester
CID 222666
Ethyl 4-amino-2-methylpyrimidine-5-carboxylate
CID 231662
Ethyl 2,4-diaminopyrimidine-5-carboxylate
CID 222669
Ethyl 2-aminopyrimidine-5-carboxylate
CID 295889
Ethyl 5-pyrimidinecarboxylate
CID 4223810
Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate
CID 248642
AP-1/NF-kappaB activation inhibitor 1
CID 44289488
ethyl 2-tert-butyl-4-(3-methyl-2,5-dioxo-2H-pyrrol-1(5H)-ylamino)pyrimidine-5-carboxylate
CID 44290086
Methyl 2-aminopyrimidine-5-carboxylate
CID 9793866
2-Chloro-pyrimidine-5-carboxylic acid ethyl ester
CID 10487815
Methyl pyrimidine-5-carboxylate
CID 253902

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydrazinylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-hydrazinylpyrimidine-5-carboxylate (CID 21220648) is ethyl 4-hydrazinylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-hydrazinylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-hydrazinylpyrimidine-5-carboxylate is CCOC(=O)c1cncnc1NN.
What is the InChIKey of ethyl 4-hydrazinylpyrimidine-5-carboxylate?
The InChIKey is OJHDMCNNGMVIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-2-13-7(12)5-3-9-4-10-6(5)11-8/h3-4H,2,8H2,1H3,(H,9,10,11).
What are the key properties of ethyl 4-hydrazinylpyrimidine-5-carboxylate?
ethyl 4-hydrazinylpyrimidine-5-carboxylate has a molecular weight of 182.18 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydrazinylpyrimidine-5-carboxylate is sourced from PubChem (CID 21220648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).