ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate

C8H9Cl2N3O2 — CID 121484751

IUPACethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(N)nc(Cl)nc1Cl
InChIInChI=1S/C8H9Cl2N3O2/c1-2-15-5(14)3-4-6(9)12-8(10)13-7(4)11/h2-3H2,1H3,(H2,11,12,13)
InChIKeyFHWHLKSLYIPNEW-UHFFFAOYSA-N
MW250.08 g/mol
LogP1.47
Rot. Bonds3

About ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate

ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate (PubChem CID 121484751) has the molecular formula C8H9Cl2N3O2 and a molecular weight of 250.08 g/mol. Its IUPAC name is ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate
PubChem CID121484751
Molecular FormulaC8H9Cl2N3O2
Molecular Weight250.08 g/mol
Exact Mass249.01
IUPAC Nameethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(N)nc(Cl)nc1Cl
InChIInChI=1S/C8H9Cl2N3O2/c1-2-15-5(14)3-4-6(9)12-8(10)13-7(4)11/h2-3H2,1H3,(H2,11,12,13)
InChIKeyFHWHLKSLYIPNEW-UHFFFAOYSA-N
XLogP1.47
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate (CID 121484751) is ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate is CCOC(=O)Cc1c(N)nc(Cl)nc1Cl.
What is the InChIKey of ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate?
The InChIKey is FHWHLKSLYIPNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O2/c1-2-15-5(14)3-4-6(9)12-8(10)13-7(4)11/h2-3H2,1H3,(H2,11,12,13).
What are the key properties of ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate?
ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate has a molecular weight of 250.08 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate is sourced from PubChem (CID 121484751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).