4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane

C11H10BrClN2O — CID 159568727

IUPAC4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane
SMILESC.O=c1cc(-c2cc(Cl)ccc2Br)nc[nH]1
InChIInChI=1S/C10H6BrClN2O.CH4/c11-8-2-1-6(12)3-7(8)9-4-10(15)14-5-13-9;/h1-5H,(H,13,14,15);1H4
InChIKeyMHNRQVQIRNNSQW-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.49
Rot. Bonds1

About 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane

4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane (PubChem CID 159568727) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane.

Molecular Properties

Compound Name4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane
PubChem CID159568727
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane
SMILESC.O=c1cc(-c2cc(Cl)ccc2Br)nc[nH]1
InChIInChI=1S/C10H6BrClN2O.CH4/c11-8-2-1-6(12)3-7(8)9-4-10(15)14-5-13-9;/h1-5H,(H,13,14,15);1H4
InChIKeyMHNRQVQIRNNSQW-UHFFFAOYSA-N
XLogP3.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane?
The IUPAC name of 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane (CID 159568727) is 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane.
What is the SMILES notation for 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane?
The canonical SMILES for 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane is C.O=c1cc(-c2cc(Cl)ccc2Br)nc[nH]1.
What is the InChIKey of 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane?
The InChIKey is MHNRQVQIRNNSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O.CH4/c11-8-2-1-6(12)3-7(8)9-4-10(15)14-5-13-9;/h1-5H,(H,13,14,15);1H4.
What are the key properties of 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane?
4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane has a molecular weight of 301.57 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane is sourced from PubChem (CID 159568727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).