ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate

C10H15N3O3 — CID 125046751

IUPACethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(N(C)C)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-4-16-8(14)5-7-6-11-10(13(2)3)12-9(7)15/h6H,4-5H2,1-3H3,(H,11,12,15)
InChIKeyKGXIUXFINCXHBZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.06
Rot. Bonds4

About ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate

ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate (PubChem CID 125046751) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate
PubChem CID125046751
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(N(C)C)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-4-16-8(14)5-7-6-11-10(13(2)3)12-9(7)15/h6H,4-5H2,1-3H3,(H,11,12,15)
InChIKeyKGXIUXFINCXHBZ-UHFFFAOYSA-N
XLogP-0.06
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetate
CID 3659581
ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 135416561
ethyl 2-[4-(aminomethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677113
ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate
CID 129116376
CID 158810794
CID 158810794
ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
CID 26604
ethyl 2-(4,6-dibromo-3-pyridinyl)acetate
CID 133097252
ethyl 2-[4-(chloromethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101951
ethyl 2-[6-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134658523
2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 83851930
ethyl 2-[5-iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 134660254
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668311

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate?
The IUPAC name of ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate (CID 125046751) is ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate is CCOC(=O)Cc1cnc(N(C)C)[nH]c1=O.
What is the InChIKey of ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate?
The InChIKey is KGXIUXFINCXHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-16-8(14)5-7-6-11-10(13(2)3)12-9(7)15/h6H,4-5H2,1-3H3,(H,11,12,15).
What are the key properties of ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate?
ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate has a molecular weight of 225.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate is sourced from PubChem (CID 125046751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).