2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate

C12H18N2O3 — CID 7748934

IUPAC2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate
SMILESCc1cc(=O)n(CC(=O)OCC(C)C)c(C)n1
InChIInChI=1S/C12H18N2O3/c1-8(2)7-17-12(16)6-14-10(4)13-9(3)5-11(14)15/h5,8H,6-7H2,1-4H3
InChIKeyMCNAUVSDDRDESQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.06
Rot. Bonds4

About 2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate

2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate (PubChem CID 7748934) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate
PubChem CID7748934
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate
SMILESCc1cc(=O)n(CC(=O)OCC(C)C)c(C)n1
InChIInChI=1S/C12H18N2O3/c1-8(2)7-17-12(16)6-14-10(4)13-9(3)5-11(14)15/h5,8H,6-7H2,1-4H3
InChIKeyMCNAUVSDDRDESQ-UHFFFAOYSA-N
XLogP1.06
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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 2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate 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 2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate?
The IUPAC name of 2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate (CID 7748934) is 2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate?
The canonical SMILES for 2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate is Cc1cc(=O)n(CC(=O)OCC(C)C)c(C)n1.
What is the InChIKey of 2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate?
The InChIKey is MCNAUVSDDRDESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)7-17-12(16)6-14-10(4)13-9(3)5-11(14)15/h5,8H,6-7H2,1-4H3.
What are the key properties of 2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate?
2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate has a molecular weight of 238.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 7748934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).