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

C10H14N2O3 — CID 175647253

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C10H14N2O3/c1-7-6-8(2)12(10(14)11-7)4-5-15-9(3)13/h6H,4-5H2,1-3H3
InChIKeyCGSXAPXTFTVFSR-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.42
Rot. Bonds3

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

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate (PubChem CID 175647253) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate
PubChem CID175647253
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C10H14N2O3/c1-7-6-8(2)12(10(14)11-7)4-5-15-9(3)13/h6H,4-5H2,1-3H3
InChIKeyCGSXAPXTFTVFSR-UHFFFAOYSA-N
XLogP0.42
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetic acid
CID 4120141
2-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)acetic acid hydrochloride
CID 44667857
1,4-Bis[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1yl)ethyl] butanedioate
CID 166637546
1-(2-Methoxyethyl)-4,6-dimethyl-2-oxopyrimidine
CID 175647239
Ethyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81296319
Ethyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
CID 13306028
4-O-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 90453505
4-O-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl] 1-O-methyl but-2-enedioate
CID 123345174
2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate
CID 131966797
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl (E)-but-2-enoate
CID 169892006
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl (E)-4-oxobut-2-enoate
CID 170122777
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)acetate
CID 4120140

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate (CID 175647253) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate is CC(=O)OCCn1c(C)cc(C)nc1=O.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate?
The InChIKey is CGSXAPXTFTVFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-6-8(2)12(10(14)11-7)4-5-15-9(3)13/h6H,4-5H2,1-3H3.
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate has a molecular weight of 210.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl acetate is sourced from PubChem (CID 175647253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).