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

C10H12Cl2N2O — CID 114584896

IUPAC6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
SMILESC=C(Cl)Cn1c(C(C)C)nc(Cl)cc1=O
InChIInChI=1S/C10H12Cl2N2O/c1-6(2)10-13-8(12)4-9(15)14(10)5-7(3)11/h4,6H,3,5H2,1-2H3
InChIKeyZXHPRGZEMJBRCV-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.77
Rot. Bonds3

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

6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one (PubChem CID 114584896) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
PubChem CID114584896
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
SMILESC=C(Cl)Cn1c(C(C)C)nc(Cl)cc1=O
InChIInChI=1S/C10H12Cl2N2O/c1-6(2)10-13-8(12)4-9(15)14(10)5-7(3)11/h4,6H,3,5H2,1-2H3
InChIKeyZXHPRGZEMJBRCV-UHFFFAOYSA-N
XLogP2.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one (CID 114584896) is 6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one is C=C(Cl)Cn1c(C(C)C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one?
The InChIKey is ZXHPRGZEMJBRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-6(2)10-13-8(12)4-9(15)14(10)5-7(3)11/h4,6H,3,5H2,1-2H3.
What are the key properties of 6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one?
6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one has a molecular weight of 247.12 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-chloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 114584896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).