ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate

C15H24N2O3 — CID 70301496

IUPACethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)nc(C(C)C)c(C(C)C)c1=O
InChIInChI=1S/C15H24N2O3/c1-7-20-12(18)8-17-11(6)16-14(10(4)5)13(9(2)3)15(17)19/h9-10H,7-8H2,1-6H3
InChIKeySFKABVZHKOKFKH-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.36
Rot. Bonds5

About ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate

ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate (PubChem CID 70301496) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate
PubChem CID70301496
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)nc(C(C)C)c(C(C)C)c1=O
InChIInChI=1S/C15H24N2O3/c1-7-20-12(18)8-17-11(6)16-14(10(4)5)13(9(2)3)15(17)19/h9-10H,7-8H2,1-6H3
InChIKeySFKABVZHKOKFKH-UHFFFAOYSA-N
XLogP2.36
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-methyl-3-oxo-4-propan-2-yl-1H-pyrazol-2-yl)acetate
CID 66022561
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 703754
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-[2-(1-ethoxyethenyl)-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl]acetate
CID 163219415
ethyl 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-3-oxobutanoate
CID 66342493
ethyl 2-[2-(1,1-difluoroethyl)-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl]acetate
CID 166454588
ethyl 2-(4-amino-5-oxo-3-propan-2-yl-1,2,4-triazol-1-yl)acetate
CID 13435509
ethyl 2-(2,4,7,8-tetramethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)acetate
CID 6485010
ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79004032
ethyl 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetate
CID 10198231
ethyl 2-[8-chloro-9-(dimethylamino)-2-ethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetate
CID 155300910

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate?
The IUPAC name of ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate (CID 70301496) is ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate is CCOC(=O)Cn1c(C)nc(C(C)C)c(C(C)C)c1=O.
What is the InChIKey of ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate?
The InChIKey is SFKABVZHKOKFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-7-20-12(18)8-17-11(6)16-14(10(4)5)13(9(2)3)15(17)19/h9-10H,7-8H2,1-6H3.
What are the key properties of ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate?
ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate has a molecular weight of 280.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate is sourced from PubChem (CID 70301496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).