ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate

C13H21N3O3 — CID 123565405

IUPACethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate
SMILESCCOC(=O)Cc1nc(N(CC)CC)cc(=O)n1C
InChIInChI=1S/C13H21N3O3/c1-5-16(6-2)11-8-12(17)15(4)10(14-11)9-13(18)19-7-3/h8H,5-7,9H2,1-4H3
InChIKeyIAZBSAROMWWOSO-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.73
Rot. Bonds6

About ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate

ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate (PubChem CID 123565405) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate
PubChem CID123565405
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate
SMILESCCOC(=O)Cc1nc(N(CC)CC)cc(=O)n1C
InChIInChI=1S/C13H21N3O3/c1-5-16(6-2)11-8-12(17)15(4)10(14-11)9-13(18)19-7-3/h8H,5-7,9H2,1-4H3
InChIKeyIAZBSAROMWWOSO-UHFFFAOYSA-N
XLogP0.73
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate (CID 123565405) is ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate is CCOC(=O)Cc1nc(N(CC)CC)cc(=O)n1C.
What is the InChIKey of ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate?
The InChIKey is IAZBSAROMWWOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-16(6-2)11-8-12(17)15(4)10(14-11)9-13(18)19-7-3/h8H,5-7,9H2,1-4H3.
What are the key properties of ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate?
ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate has a molecular weight of 267.33 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate is sourced from PubChem (CID 123565405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).