ethyl 2-amino-3-pyrimidin-2-ylpropanoate

C9H13N3O2 — CID 57486047

IUPACethyl 2-amino-3-pyrimidin-2-ylpropanoate
SMILESCCOC(=O)C(N)Cc1ncccn1
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)7(10)6-8-11-4-3-5-12-8/h3-5,7H,2,6,10H2,1H3
InChIKeyPLIIKNFGDFKPLE-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.09
Rot. Bonds4

About ethyl 2-amino-3-pyrimidin-2-ylpropanoate

ethyl 2-amino-3-pyrimidin-2-ylpropanoate (PubChem CID 57486047) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 2-amino-3-pyrimidin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-pyrimidin-2-ylpropanoate
PubChem CID57486047
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 2-amino-3-pyrimidin-2-ylpropanoate
SMILESCCOC(=O)C(N)Cc1ncccn1
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)7(10)6-8-11-4-3-5-12-8/h3-5,7H,2,6,10H2,1H3
InChIKeyPLIIKNFGDFKPLE-UHFFFAOYSA-N
XLogP-0.09
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-pyrimidin-2-ylpropanoate?
The IUPAC name of ethyl 2-amino-3-pyrimidin-2-ylpropanoate (CID 57486047) is ethyl 2-amino-3-pyrimidin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-pyrimidin-2-ylpropanoate?
The canonical SMILES for ethyl 2-amino-3-pyrimidin-2-ylpropanoate is CCOC(=O)C(N)Cc1ncccn1.
What is the InChIKey of ethyl 2-amino-3-pyrimidin-2-ylpropanoate?
The InChIKey is PLIIKNFGDFKPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-9(13)7(10)6-8-11-4-3-5-12-8/h3-5,7H,2,6,10H2,1H3.
What are the key properties of ethyl 2-amino-3-pyrimidin-2-ylpropanoate?
ethyl 2-amino-3-pyrimidin-2-ylpropanoate has a molecular weight of 195.22 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-pyrimidin-2-ylpropanoate is sourced from PubChem (CID 57486047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).