ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate

C12H19N3O3 — CID 137045061

IUPACethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate
SMILESCCOC(=O)Cc1nc(N(CC)CC)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-4-15(5-2)10-8-11(16)14-9(13-10)7-12(17)18-6-3/h8H,4-7H2,1-3H3,(H,13,14,16)
InChIKeyPSLJSOWMEVCDDT-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.72
Rot. Bonds6

About ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate

ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate (PubChem CID 137045061) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate
PubChem CID137045061
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate
SMILESCCOC(=O)Cc1nc(N(CC)CC)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-4-15(5-2)10-8-11(16)14-9(13-10)7-12(17)18-6-3/h8H,4-7H2,1-3H3,(H,13,14,16)
InChIKeyPSLJSOWMEVCDDT-UHFFFAOYSA-N
XLogP0.72
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-amino-6-hydroxypyrimidin-2-yl)acetate
CID 135667643
Ethyl 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetate
CID 135905419
(+/-)-[4-(2-Fluoromethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136378682
Isopropyl 2-(4-hydroxypyrimidin-2-yl)acetate
CID 91042281
Ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate
CID 123565405
Ethyl 2-(4-hydroxypyrimidin-2-yl)acetate
CID 133059206
Sodium (4-morpholin-4-yl-6-oxo-1,6-dihydropyrimidin-2-yl)acetate
CID 136041844
Lithium [4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetate
CID 136041845
[4-(2-Methylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136238744
Sodium 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]propanoate
CID 136352188
[4-(2-Ethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136378675
Ethyl 2-(6-chloro-4-oxo-1,4-dihydropyrimidin-2-yl)acetate
CID 136378677

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate (CID 137045061) is ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate is CCOC(=O)Cc1nc(N(CC)CC)cc(=O)[nH]1.
What is the InChIKey of ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate?
The InChIKey is PSLJSOWMEVCDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-15(5-2)10-8-11(16)14-9(13-10)7-12(17)18-6-3/h8H,4-7H2,1-3H3,(H,13,14,16).
What are the key properties of ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate?
ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate has a molecular weight of 253.30 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate is sourced from PubChem (CID 137045061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).