ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate

C11H10Cl2N2O4 — CID 167494607

IUPACethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate
SMILESCCOC(=O)Cc1nc(Cl)nc(Cl)c1C1OC=CO1
InChIInChI=1S/C11H10Cl2N2O4/c1-2-17-7(16)5-6-8(10-18-3-4-19-10)9(12)15-11(13)14-6/h3-4,10H,2,5H2,1H3
InChIKeyKAQFFMLVMJSULN-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.41
Rot. Bonds4

About ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate

ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate (PubChem CID 167494607) has the molecular formula C11H10Cl2N2O4 and a molecular weight of 305.12 g/mol. Its IUPAC name is ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate
PubChem CID167494607
Molecular FormulaC11H10Cl2N2O4
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Nameethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate
SMILESCCOC(=O)Cc1nc(Cl)nc(Cl)c1C1OC=CO1
InChIInChI=1S/C11H10Cl2N2O4/c1-2-17-7(16)5-6-8(10-18-3-4-19-10)9(12)15-11(13)14-6/h3-4,10H,2,5H2,1H3
InChIKeyKAQFFMLVMJSULN-UHFFFAOYSA-N
XLogP2.41
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate
CID 168887303
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
CID 26604
ethyl 2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134673847
ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate
CID 82358306
ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate
CID 147145011
ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate
CID 133060978
ethyl 2-(6-chloropyrazin-2-yl)acetate
CID 52987963
ethyl 2-(3-methoxypyrazin-2-yl)acetate
CID 112692734
ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate
CID 59385171
ethyl 2-[2,4-dichloro-6-(piperidin-4-ylamino)pyrimidin-5-yl]acetate
CID 59210364
ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134673525

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate?
The IUPAC name of ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate (CID 167494607) is ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate is CCOC(=O)Cc1nc(Cl)nc(Cl)c1C1OC=CO1.
What is the InChIKey of ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate?
The InChIKey is KAQFFMLVMJSULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O4/c1-2-17-7(16)5-6-8(10-18-3-4-19-10)9(12)15-11(13)14-6/h3-4,10H,2,5H2,1H3.
What are the key properties of ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate?
ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate has a molecular weight of 305.12 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate is sourced from PubChem (CID 167494607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).