ethyl 2-amino-4-ethylpyrimidine-5-carboxylate

C9H13N3O2 — CID 14639205

IUPACethyl 2-amino-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)nc1CC
InChIInChI=1S/C9H13N3O2/c1-3-7-6(8(13)14-4-2)5-11-9(10)12-7/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyANOGOISEKRACQT-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.80
Rot. Bonds3

About ethyl 2-amino-4-ethylpyrimidine-5-carboxylate

ethyl 2-amino-4-ethylpyrimidine-5-carboxylate (PubChem CID 14639205) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 2-amino-4-ethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-ethylpyrimidine-5-carboxylate
PubChem CID14639205
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 2-amino-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)nc1CC
InChIInChI=1S/C9H13N3O2/c1-3-7-6(8(13)14-4-2)5-11-9(10)12-7/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyANOGOISEKRACQT-UHFFFAOYSA-N
XLogP0.80
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-ethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-ethylpyrimidine-5-carboxylate (CID 14639205) is ethyl 2-amino-4-ethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-ethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-ethylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(N)nc1CC.
What is the InChIKey of ethyl 2-amino-4-ethylpyrimidine-5-carboxylate?
The InChIKey is ANOGOISEKRACQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-7-6(8(13)14-4-2)5-11-9(10)12-7/h5H,3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of ethyl 2-amino-4-ethylpyrimidine-5-carboxylate?
ethyl 2-amino-4-ethylpyrimidine-5-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-ethylpyrimidine-5-carboxylate is sourced from PubChem (CID 14639205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).