methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate

C11H15ClN2O2 — CID 117225349

IUPACmethyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate
SMILESCOC(=O)Cc1cnc(CC(C)C)nc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7(2)4-9-13-6-8(11(12)14-9)5-10(15)16-3/h6-7H,4-5H2,1-3H3
InChIKeyAJADEYCDXSUDNT-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.04
Rot. Bonds4

About methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate

methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate (PubChem CID 117225349) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate
PubChem CID117225349
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Namemethyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate
SMILESCOC(=O)Cc1cnc(CC(C)C)nc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7(2)4-9-13-6-8(11(12)14-9)5-10(15)16-3/h6-7H,4-5H2,1-3H3
InChIKeyAJADEYCDXSUDNT-UHFFFAOYSA-N
XLogP2.04
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-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 methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate?
The IUPAC name of methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate (CID 117225349) is methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate.
What is the SMILES notation for methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate?
The canonical SMILES for methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate is COC(=O)Cc1cnc(CC(C)C)nc1Cl.
What is the InChIKey of methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate?
The InChIKey is AJADEYCDXSUDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(2)4-9-13-6-8(11(12)14-9)5-10(15)16-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate?
methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate has a molecular weight of 242.71 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate is sourced from PubChem (CID 117225349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).