ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate

C8H10ClN3O2 — CID 13060218

IUPACethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(N)cc(Cl)n1
InChIInChI=1S/C8H10ClN3O2/c1-2-14-8(13)4-7-11-5(9)3-6(10)12-7/h3H,2,4H2,1H3,(H2,10,11,12)
InChIKeyTXRFPCUZRJMHQE-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.82
Rot. Bonds3

About ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate

ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate (PubChem CID 13060218) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate
PubChem CID13060218
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Nameethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(N)cc(Cl)n1
InChIInChI=1S/C8H10ClN3O2/c1-2-14-8(13)4-7-11-5(9)3-6(10)12-7/h3H,2,4H2,1H3,(H2,10,11,12)
InChIKeyTXRFPCUZRJMHQE-UHFFFAOYSA-N
XLogP0.82
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-aminopyrimidin-2-yl)acetate
CID 133058432
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
O-ethyl 2-(4,6-dichloropyrimidin-2-yl)ethanethioate
CID 54036785
ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134669264
ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate
CID 133098451
ethyl 2-(6-chloropyrazin-2-yl)acetate
CID 52987963
ethyl 2-[6-chloro-3-(difluoromethyl)-2-methyl-4-pyridinyl]acetate
CID 134685552
ethyl 2-[4,5-dichloro-2-(chloromethyl)phenyl]acetate
CID 171005942
ethyl 2-[6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134686447
ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 133098328
ethyl 2-(4-amino-2-benzoyl-6-chloro-3-pyridinyl)acetate
CID 88847411
ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate?
The IUPAC name of ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate (CID 13060218) is ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate is CCOC(=O)Cc1nc(N)cc(Cl)n1.
What is the InChIKey of ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate?
The InChIKey is TXRFPCUZRJMHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-2-14-8(13)4-7-11-5(9)3-6(10)12-7/h3H,2,4H2,1H3,(H2,10,11,12).
What are the key properties of ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate?
ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate has a molecular weight of 215.64 g/mol, XLogP of 0.82, 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-6-chloropyrimidin-2-yl)acetate is sourced from PubChem (CID 13060218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).