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

C11H12Cl2N2O2 — CID 87770267

IUPACmethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate
SMILESC=CCC(C(=O)OC)c1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-4-5-7(11(16)17-3)8-9(12)14-6(2)15-10(8)13/h4,7H,1,5H2,2-3H3
InChIKeyMYMNJGMVAHNKAM-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.92
Rot. Bonds4

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

methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate (PubChem CID 87770267) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.14 g/mol. Its IUPAC name is methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate.

Molecular Properties

Compound Namemethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate
PubChem CID87770267
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.14 g/mol
Exact Mass274.03
IUPAC Namemethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate
SMILESC=CCC(C(=O)OC)c1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-4-5-7(11(16)17-3)8-9(12)14-6(2)15-10(8)13/h4,7H,1,5H2,2-3H3
InChIKeyMYMNJGMVAHNKAM-UHFFFAOYSA-N
XLogP2.92
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate?
The IUPAC name of methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate (CID 87770267) is methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate.
What is the SMILES notation for methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate?
The canonical SMILES for methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate is C=CCC(C(=O)OC)c1c(Cl)nc(C)nc1Cl.
What is the InChIKey of methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate?
The InChIKey is MYMNJGMVAHNKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-4-5-7(11(16)17-3)8-9(12)14-6(2)15-10(8)13/h4,7H,1,5H2,2-3H3.
What are the key properties of methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate?
methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate has a molecular weight of 275.14 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate is sourced from PubChem (CID 87770267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).