ethane;ethyl 5-aminopyrimidine-2-carboxylate

C9H15N3O2 — CID 91029574

IUPACethane;ethyl 5-aminopyrimidine-2-carboxylate
SMILESCC.CCOC(=O)c1ncc(N)cn1
InChIInChI=1S/C7H9N3O2.C2H6/c1-2-12-7(11)6-9-3-5(8)4-10-6;1-2/h3-4H,2,8H2,1H3;1-2H3
InChIKeyIVMIHNUPFPVICY-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.26
Rot. Bonds2

About ethane;ethyl 5-aminopyrimidine-2-carboxylate

ethane;ethyl 5-aminopyrimidine-2-carboxylate (PubChem CID 91029574) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethane;ethyl 5-aminopyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 5-aminopyrimidine-2-carboxylate
PubChem CID91029574
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethane;ethyl 5-aminopyrimidine-2-carboxylate
SMILESCC.CCOC(=O)c1ncc(N)cn1
InChIInChI=1S/C7H9N3O2.C2H6/c1-2-12-7(11)6-9-3-5(8)4-10-6;1-2/h3-4H,2,8H2,1H3;1-2H3
InChIKeyIVMIHNUPFPVICY-UHFFFAOYSA-N
XLogP1.26
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-aminopyrimidine-2-carboxylate?
The IUPAC name of ethane;ethyl 5-aminopyrimidine-2-carboxylate (CID 91029574) is ethane;ethyl 5-aminopyrimidine-2-carboxylate.
What is the SMILES notation for ethane;ethyl 5-aminopyrimidine-2-carboxylate?
The canonical SMILES for ethane;ethyl 5-aminopyrimidine-2-carboxylate is CC.CCOC(=O)c1ncc(N)cn1.
What is the InChIKey of ethane;ethyl 5-aminopyrimidine-2-carboxylate?
The InChIKey is IVMIHNUPFPVICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2.C2H6/c1-2-12-7(11)6-9-3-5(8)4-10-6;1-2/h3-4H,2,8H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 5-aminopyrimidine-2-carboxylate?
ethane;ethyl 5-aminopyrimidine-2-carboxylate has a molecular weight of 197.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-aminopyrimidine-2-carboxylate is sourced from PubChem (CID 91029574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).