5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one

C11H14BrClN2O — CID 114583646

IUPAC5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CC1CCCCC1
InChIInChI=1S/C11H14BrClN2O/c12-9-10(13)14-7-15(11(9)16)6-8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyVZWXETUIDMOHQJ-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.24
Rot. Bonds2

About 5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one

5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one (PubChem CID 114583646) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
PubChem CID114583646
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CC1CCCCC1
InChIInChI=1S/C11H14BrClN2O/c12-9-10(13)14-7-15(11(9)16)6-8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyVZWXETUIDMOHQJ-UHFFFAOYSA-N
XLogP3.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one (CID 114583646) is 5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one is O=c1c(Br)c(Cl)ncn1CC1CCCCC1.
What is the InChIKey of 5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one?
The InChIKey is VZWXETUIDMOHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c12-9-10(13)14-7-15(11(9)16)6-8-4-2-1-3-5-8/h7-8H,1-6H2.
What are the key properties of 5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one has a molecular weight of 305.60 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114583646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).