ethyl 5-aminopyrimidine-2-carboxylate

C7H9N3O2 — CID 58897543

IUPACethyl 5-aminopyrimidine-2-carboxylate
SMILESCCOC(=O)c1ncc(N)cn1
InChIInChI=1S/C7H9N3O2/c1-2-12-7(11)6-9-3-5(8)4-10-6/h3-4H,2,8H2,1H3
InChIKeyFTQNOYWZVZUPCJ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.24
Rot. Bonds2

About ethyl 5-aminopyrimidine-2-carboxylate

ethyl 5-aminopyrimidine-2-carboxylate (PubChem CID 58897543) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is ethyl 5-aminopyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-aminopyrimidine-2-carboxylate
PubChem CID58897543
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Nameethyl 5-aminopyrimidine-2-carboxylate
SMILESCCOC(=O)c1ncc(N)cn1
InChIInChI=1S/C7H9N3O2/c1-2-12-7(11)6-9-3-5(8)4-10-6/h3-4H,2,8H2,1H3
InChIKeyFTQNOYWZVZUPCJ-UHFFFAOYSA-N
XLogP0.24
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-aminopyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-aminopyrimidine-2-carboxylate (CID 58897543) is ethyl 5-aminopyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-aminopyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-aminopyrimidine-2-carboxylate is CCOC(=O)c1ncc(N)cn1.
What is the InChIKey of ethyl 5-aminopyrimidine-2-carboxylate?
The InChIKey is FTQNOYWZVZUPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-12-7(11)6-9-3-5(8)4-10-6/h3-4H,2,8H2,1H3.
What are the key properties of ethyl 5-aminopyrimidine-2-carboxylate?
ethyl 5-aminopyrimidine-2-carboxylate has a molecular weight of 167.17 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-aminopyrimidine-2-carboxylate is sourced from PubChem (CID 58897543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).