5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine

C13H14BrN3 — CID 66307241

IUPAC5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccc(Cc2nc(C)c(Br)c(N)n2)cc1
InChIInChI=1S/C13H14BrN3/c1-8-3-5-10(6-4-8)7-11-16-9(2)12(14)13(15)17-11/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyBEIANVHXJRZILQ-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.03
Rot. Bonds2

About 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine

5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 66307241) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID66307241
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccc(Cc2nc(C)c(Br)c(N)n2)cc1
InChIInChI=1S/C13H14BrN3/c1-8-3-5-10(6-4-8)7-11-16-9(2)12(14)13(15)17-11/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyBEIANVHXJRZILQ-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine (CID 66307241) is 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine is Cc1ccc(Cc2nc(C)c(Br)c(N)n2)cc1.
What is the InChIKey of 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is BEIANVHXJRZILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-8-3-5-10(6-4-8)7-11-16-9(2)12(14)13(15)17-11/h3-6H,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine?
5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 292.18 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66307241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).