6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one

C11H14Cl2N2O — CID 106439758

IUPAC6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
SMILESCC(=CCl)Cn1c(C(C)C)nc(Cl)cc1=O
InChIInChI=1S/C11H14Cl2N2O/c1-7(2)11-14-9(13)4-10(16)15(11)6-8(3)5-12/h4-5,7H,6H2,1-3H3
InChIKeyUUXHFPNZVAQSPP-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.16
Rot. Bonds3

About 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one

6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one (PubChem CID 106439758) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
PubChem CID106439758
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
SMILESCC(=CCl)Cn1c(C(C)C)nc(Cl)cc1=O
InChIInChI=1S/C11H14Cl2N2O/c1-7(2)11-14-9(13)4-10(16)15(11)6-8(3)5-12/h4-5,7H,6H2,1-3H3
InChIKeyUUXHFPNZVAQSPP-UHFFFAOYSA-N
XLogP3.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one (CID 106439758) is 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one is CC(=CCl)Cn1c(C(C)C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one?
The InChIKey is UUXHFPNZVAQSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-7(2)11-14-9(13)4-10(16)15(11)6-8(3)5-12/h4-5,7H,6H2,1-3H3.
What are the key properties of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one?
6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one has a molecular weight of 261.15 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 106439758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).