methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate

C12H18N2O3 — CID 79630237

IUPACmethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C12H18N2O3/c1-8-6-9(2)14(11(16)13-8)7-12(3,4)10(15)17-5/h6H,7H2,1-5H3
InChIKeyKDOHBGAYZAYXNZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.06
Rot. Bonds3

About methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate

methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate (PubChem CID 79630237) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate
PubChem CID79630237
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C12H18N2O3/c1-8-6-9(2)14(11(16)13-8)7-12(3,4)10(15)17-5/h6H,7H2,1-5H3
InChIKeyKDOHBGAYZAYXNZ-UHFFFAOYSA-N
XLogP1.06
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate (CID 79630237) is methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cn1c(C)cc(C)nc1=O.
What is the InChIKey of methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate?
The InChIKey is KDOHBGAYZAYXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-6-9(2)14(11(16)13-8)7-12(3,4)10(15)17-5/h6H,7H2,1-5H3.
What are the key properties of methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate?
methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate has a molecular weight of 238.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 79630237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).