ethyl N-aminocarbamate;pyrimidine

C7H12N4O2 — CID 174640188

IUPACethyl N-aminocarbamate;pyrimidine
SMILESCCOC(=O)NN.c1cncnc1
InChIInChI=1S/C4H4N2.C3H8N2O2/c1-2-5-4-6-3-1;1-2-7-3(6)5-4/h1-4H;2,4H2,1H3,(H,5,6)
InChIKeyRBTGLILLRHRLHG-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.08
Rot. Bonds1

About ethyl N-aminocarbamate;pyrimidine

ethyl N-aminocarbamate;pyrimidine (PubChem CID 174640188) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is ethyl N-aminocarbamate;pyrimidine.

Molecular Properties

Compound Nameethyl N-aminocarbamate;pyrimidine
PubChem CID174640188
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Nameethyl N-aminocarbamate;pyrimidine
SMILESCCOC(=O)NN.c1cncnc1
InChIInChI=1S/C4H4N2.C3H8N2O2/c1-2-5-4-6-3-1;1-2-7-3(6)5-4/h1-4H;2,4H2,1H3,(H,5,6)
InChIKeyRBTGLILLRHRLHG-UHFFFAOYSA-N
XLogP0.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-aminocarbamate;pyrimidine?
The IUPAC name of ethyl N-aminocarbamate;pyrimidine (CID 174640188) is ethyl N-aminocarbamate;pyrimidine.
What is the SMILES notation for ethyl N-aminocarbamate;pyrimidine?
The canonical SMILES for ethyl N-aminocarbamate;pyrimidine is CCOC(=O)NN.c1cncnc1.
What is the InChIKey of ethyl N-aminocarbamate;pyrimidine?
The InChIKey is RBTGLILLRHRLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C3H8N2O2/c1-2-5-4-6-3-1;1-2-7-3(6)5-4/h1-4H;2,4H2,1H3,(H,5,6).
What are the key properties of ethyl N-aminocarbamate;pyrimidine?
ethyl N-aminocarbamate;pyrimidine has a molecular weight of 184.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-aminocarbamate;pyrimidine is sourced from PubChem (CID 174640188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).