2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate

C10H14N2O4 — CID 15025796

IUPAC2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1c(C)cc(=O)n(C)c1=O
InChIInChI=1S/C10H14N2O4/c1-7-6-9(14)11(3)10(15)12(7)4-5-16-8(2)13/h6H,4-5H2,1-3H3
InChIKeyBILMNQPRTFVNKE-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.58
Rot. Bonds3

About 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate

2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate (PubChem CID 15025796) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate
PubChem CID15025796
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1c(C)cc(=O)n(C)c1=O
InChIInChI=1S/C10H14N2O4/c1-7-6-9(14)11(3)10(15)12(7)4-5-16-8(2)13/h6H,4-5H2,1-3H3
InChIKeyBILMNQPRTFVNKE-UHFFFAOYSA-N
XLogP-0.58
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl acetate
CID 2843129
1,3-Bis(2-hydroxyethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 2783724
Ethyl 1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate
CID 362785
Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-(2-propenyl)-, trans
CID 5468906
1,3-Dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 13014893
6-[[Butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 47040062
Methyl 2-[3-methyl-2,4-dioxo-6-(trifluoromethyl)pyrimidin-1-yl]acetate
CID 137454045
Pyrimidine-2,4-dione, hexahydro-3,6-dimethyl-1-(4-morpholinobutyl)-
CID 567606
Isopropyl 2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-1-yl)acetate
CID 12129795
Isopropyl 2-(1-isopropoxycarbonylmethyl-6-methyl-2,4-di-oxo-1,2,3,4-tetrahydropyrimidin-3-yl)acetate
CID 12129796
(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)acetic acid methyl ester
CID 15047492
Ethyl (6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetate
CID 23244914

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate?
The IUPAC name of 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate (CID 15025796) is 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate is CC(=O)OCCn1c(C)cc(=O)n(C)c1=O.
What is the InChIKey of 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate?
The InChIKey is BILMNQPRTFVNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-6-9(14)11(3)10(15)12(7)4-5-16-8(2)13/h6H,4-5H2,1-3H3.
What are the key properties of 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate?
2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate has a molecular weight of 226.23 g/mol, XLogP of -0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate is sourced from PubChem (CID 15025796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).