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

C12H17N3O4 — CID 65442221

IUPACmethyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)C(Cn1c(C)cc(C)nc1=O)NC(C)=O
InChIInChI=1S/C12H17N3O4/c1-7-5-8(2)15(12(18)13-7)6-10(11(17)19-4)14-9(3)16/h5,10H,6H2,1-4H3,(H,14,16)
InChIKeyRIUYNDILFFTPNL-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.46
Rot. Bonds4

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

methyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate (PubChem CID 65442221) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
PubChem CID65442221
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Namemethyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)C(Cn1c(C)cc(C)nc1=O)NC(C)=O
InChIInChI=1S/C12H17N3O4/c1-7-5-8(2)15(12(18)13-7)6-10(11(17)19-4)14-9(3)16/h5,10H,6H2,1-4H3,(H,14,16)
InChIKeyRIUYNDILFFTPNL-UHFFFAOYSA-N
XLogP-0.46
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate?
The IUPAC name of methyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate (CID 65442221) is methyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate is COC(=O)C(Cn1c(C)cc(C)nc1=O)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate?
The InChIKey is RIUYNDILFFTPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-5-8(2)15(12(18)13-7)6-10(11(17)19-4)14-9(3)16/h5,10H,6H2,1-4H3,(H,14,16).
What are the key properties of methyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate?
methyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate has a molecular weight of 267.29 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 65442221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).