5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine

C13H14BrN3O — CID 123365663

IUPAC5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
SMILESCOc1cc(Br)ccc1Cc1cnc(N)nc1C
InChIInChI=1S/C13H14BrN3O/c1-8-10(7-16-13(15)17-8)5-9-3-4-11(14)6-12(9)18-2/h3-4,6-7H,5H2,1-2H3,(H2,15,16,17)
InChIKeyBIKSBCMDNFJSBO-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.73
Rot. Bonds3

About 5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine

5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine (PubChem CID 123365663) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
PubChem CID123365663
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
SMILESCOc1cc(Br)ccc1Cc1cnc(N)nc1C
InChIInChI=1S/C13H14BrN3O/c1-8-10(7-16-13(15)17-8)5-9-3-4-11(14)6-12(9)18-2/h3-4,6-7H,5H2,1-2H3,(H2,15,16,17)
InChIKeyBIKSBCMDNFJSBO-UHFFFAOYSA-N
XLogP2.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of 5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine (CID 123365663) is 5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine is COc1cc(Br)ccc1Cc1cnc(N)nc1C.
What is the InChIKey of 5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine?
The InChIKey is BIKSBCMDNFJSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-10(7-16-13(15)17-8)5-9-3-4-11(14)6-12(9)18-2/h3-4,6-7H,5H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine?
5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 123365663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).