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

C12H19N3O3 — CID 135850724

IUPACethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(N(CC)CC)n1
InChIInChI=1S/C12H19N3O3/c1-4-15(5-2)12-13-9(7-10(16)14-12)8-11(17)18-6-3/h7H,4-6,8H2,1-3H3,(H,13,14,16)
InChIKeyAKVFEVJIDCUHKH-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.72
Rot. Bonds6

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

ethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate (PubChem CID 135850724) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
PubChem CID135850724
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(N(CC)CC)n1
InChIInChI=1S/C12H19N3O3/c1-4-15(5-2)12-13-9(7-10(16)14-12)8-11(17)18-6-3/h7H,4-6,8H2,1-3H3,(H,13,14,16)
InChIKeyAKVFEVJIDCUHKH-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-amino-1,6-dihydro-6-oxo-4-pyrimidineacetate
CID 135471846
Methyl 2-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)acetate
CID 135483586
Methyl 2-(2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrimidin-6-yl)acetate
CID 135744001
Methyl [6-hydroxy-2-(morpholin-4-yl)pyrimidin-4-yl]acetate
CID 135645674
2-(2-(Diethylamino)-6-hydroxypyrimidin-4-yl)acetic acid
CID 135741829
2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
CID 135840404
4-Hydroxy-2-ethylaminopyrimidin-6-yl acetic acid
CID 135840405
methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135850718
2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 135850719
ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135850722
Ethyl [2-(4-ethylpiperazin-1-yl)-6-oxo-1,6-dihydropyrimidin-4-yl]acetate
CID 135644883
methyl 2-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135762196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate (CID 135850724) is ethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate is CCOC(=O)Cc1cc(=O)[nH]c(N(CC)CC)n1.
What is the InChIKey of ethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate?
The InChIKey is AKVFEVJIDCUHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-15(5-2)12-13-9(7-10(16)14-12)8-11(17)18-6-3/h7H,4-6,8H2,1-3H3,(H,13,14,16).
What are the key properties of ethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate?
ethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-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-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate is sourced from PubChem (CID 135850724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).