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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CID 16417864
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionic acid
CID 6484627
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 6936021
Methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 28940050
Ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 43365424
Methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate
CID 43378321
ethyl 2-(1-ethyl-4,6-dimethyl-2H-pyrimidin-2-yl)ethaneperoxoate
CID 45118146
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
CID 60773691
Ethyl 2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]prop-2-enoate
CID 64116680
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid
CID 79630141
Methyl 2-bromo-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 81091642
Methyl 3-(5-bromo-4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate
CID 81693823

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).