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

C10H16N2O2 — CID 131966797

IUPAC2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CN=C(C)C=C1C
InChIInChI=1S/C10H16N2O2/c1-8-6-9(2)12(7-11-8)4-5-14-10(3)13/h6H,4-5,7H2,1-3H3
InChIKeyLLMVATZDBYVRIG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.19
Rot. Bonds3

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

2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate (PubChem CID 131966797) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate
PubChem CID131966797
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CN=C(C)C=C1C
InChIInChI=1S/C10H16N2O2/c1-8-6-9(2)12(7-11-8)4-5-14-10(3)13/h6H,4-5,7H2,1-3H3
InChIKeyLLMVATZDBYVRIG-UHFFFAOYSA-N
XLogP1.19
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(1-ethyl-4,6-dimethylpyrimidin-2(1H)-ylidene)acetate
CID 75094674
1-(2-Methoxyethyl)-4,6-dimethyl-2-oxopyrimidine
CID 175647239
2-(4,6-Dimethyl-2-oxopyrimidin-1(2h)-yl)ethyl acetate
CID 175647253
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
Methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
CID 28940052
Ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 43365424
Ethyl (2Z)-(1-ethyl-4,6-dimethyl-2(1H)-pyrimidinylidene)acetate
CID 45118145
Propan-2-yl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
CID 61674185
Butyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
CID 61674771
Ethyl2-(1-ethyl-4,6-dimethylpyrimidin-2(1H)-ylidene)acetate
CID 121227491

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate?
The IUPAC name of 2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate (CID 131966797) is 2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate is CC(=O)OCCN1CN=C(C)C=C1C.
What is the InChIKey of 2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate?
The InChIKey is LLMVATZDBYVRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-6-9(2)12(7-11-8)4-5-14-10(3)13/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate?
2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate has a molecular weight of 196.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate is sourced from PubChem (CID 131966797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).