methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate

C11H14Cl2N2O2 — CID 86665651

IUPACmethyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate
SMILESCCCC(C(=O)OC)c1c(C)nc(Cl)nc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-4-5-7(10(16)17-3)8-6(2)14-11(13)15-9(8)12/h7H,4-5H2,1-3H3
InChIKeyNRSWCBIZJHMWBL-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.15
Rot. Bonds4

About methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate

methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate (PubChem CID 86665651) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate
PubChem CID86665651
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Namemethyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate
SMILESCCCC(C(=O)OC)c1c(C)nc(Cl)nc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-4-5-7(10(16)17-3)8-6(2)14-11(13)15-9(8)12/h7H,4-5H2,1-3H3
InChIKeyNRSWCBIZJHMWBL-UHFFFAOYSA-N
XLogP3.15
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate 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-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate?
The IUPAC name of methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate (CID 86665651) is methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate.
What is the SMILES notation for methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate?
The canonical SMILES for methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate is CCCC(C(=O)OC)c1c(C)nc(Cl)nc1Cl.
What is the InChIKey of methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate?
The InChIKey is NRSWCBIZJHMWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-4-5-7(10(16)17-3)8-6(2)14-11(13)15-9(8)12/h7H,4-5H2,1-3H3.
What are the key properties of methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate?
methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate has a molecular weight of 277.15 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dichloro-6-methylpyrimidin-5-yl)pentanoate is sourced from PubChem (CID 86665651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).