5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one

C14H15BrN2O2 — CID 136730198

IUPAC5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(-c2ccccc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C14H15BrN2O2/c1-9(19-2)8-11-16-13(12(15)14(18)17-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,16,17,18)
InChIKeyGKRPRQFIVBDXPB-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.78
Rot. Bonds4

About 5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one

5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136730198) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID136730198
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(-c2ccccc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C14H15BrN2O2/c1-9(19-2)8-11-16-13(12(15)14(18)17-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,16,17,18)
InChIKeyGKRPRQFIVBDXPB-UHFFFAOYSA-N
XLogP2.78
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one (CID 136730198) is 5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one is COC(C)Cc1nc(-c2ccccc2)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is GKRPRQFIVBDXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9(19-2)8-11-16-13(12(15)14(18)17-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one?
5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 323.19 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).