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

C14H22N2O3 — CID 143642134

IUPACethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1cnc(C(C)C)c(C(C)C)c1=O
InChIInChI=1S/C14H22N2O3/c1-6-19-11(17)7-16-8-15-13(10(4)5)12(9(2)3)14(16)18/h8-10H,6-7H2,1-5H3
InChIKeyAPMFTKQMMAGDDO-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.05
Rot. Bonds5

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

ethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate (PubChem CID 143642134) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate
PubChem CID143642134
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1cnc(C(C)C)c(C(C)C)c1=O
InChIInChI=1S/C14H22N2O3/c1-6-19-11(17)7-16-8-15-13(10(4)5)12(9(2)3)14(16)18/h8-10H,6-7H2,1-5H3
InChIKeyAPMFTKQMMAGDDO-UHFFFAOYSA-N
XLogP2.05
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-cyclopropyl-5-fluoro-6-oxo-1,6-dihydropyrimidin-1-yl)acetate
CID 172893792
Ethyl 2-[1-(2-ethoxy-2-oxoethyl)-5-ethyl-2-methyl-6-oxopyrimidin-4-yl]acetate
CID 4994257
2-(5-Ethyl-6-oxo-4-propan-2-ylpyrimidin-1-yl)acetic acid
CID 68250862
Ethyl 2-[2-methyl-6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate
CID 70301496
2-[6-Oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid
CID 70304281
2-(4,5-Diethyl-6-oxopyrimidin-1-yl)acetic acid
CID 89502910
Ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate
CID 3305876
ethyl (2,3-dimethyl-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl)acetate
CID 50953421
Ethyl 4-methyl-1,5-bis(2-methylpropyl)-6-oxopyrimidine-2-carboxylate
CID 53348871
2-(5-Ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl)acetic acid
CID 97628325
Ethyl 2-[6-oxo-4-(propan-2-yl)-1,6-dihydropyrimidin-1-yl]acetate
CID 171997456

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate?
The IUPAC name of ethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate (CID 143642134) is ethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate is CCOC(=O)Cn1cnc(C(C)C)c(C(C)C)c1=O.
What is the InChIKey of ethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate?
The InChIKey is APMFTKQMMAGDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-6-19-11(17)7-16-8-15-13(10(4)5)12(9(2)3)14(16)18/h8-10H,6-7H2,1-5H3.
What are the key properties of ethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate?
ethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate has a molecular weight of 266.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate is sourced from PubChem (CID 143642134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).