5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine

C15H18BrN3O — CID 116776608

IUPAC5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(OC)c2ccccc2)nc(N)c1Br
InChIInChI=1S/C15H18BrN3O/c1-3-7-11-12(16)14(17)19-15(18-11)13(20-2)10-8-5-4-6-9-10/h4-6,8-9,13H,3,7H2,1-2H3,(H2,17,18,19)
InChIKeyLVZJVGODBCMZLL-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.51
Rot. Bonds5

About 5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine

5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine (PubChem CID 116776608) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine
PubChem CID116776608
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(OC)c2ccccc2)nc(N)c1Br
InChIInChI=1S/C15H18BrN3O/c1-3-7-11-12(16)14(17)19-15(18-11)13(20-2)10-8-5-4-6-9-10/h4-6,8-9,13H,3,7H2,1-2H3,(H2,17,18,19)
InChIKeyLVZJVGODBCMZLL-UHFFFAOYSA-N
XLogP3.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine (CID 116776608) is 5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine is CCCc1nc(C(OC)c2ccccc2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine?
The InChIKey is LVZJVGODBCMZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-7-11-12(16)14(17)19-15(18-11)13(20-2)10-8-5-4-6-9-10/h4-6,8-9,13H,3,7H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine?
5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116776608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).