5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine

C12H12BrN3 — CID 142898848

IUPAC5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2nc(C)ncc2Br)c1
InChIInChI=1S/C12H12BrN3/c1-8-4-3-5-10(6-8)16-12-11(13)7-14-9(2)15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyWGBRUHFSHOBWOX-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.60
Rot. Bonds2

About 5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine

5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine (PubChem CID 142898848) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine
PubChem CID142898848
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2nc(C)ncc2Br)c1
InChIInChI=1S/C12H12BrN3/c1-8-4-3-5-10(6-8)16-12-11(13)7-14-9(2)15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyWGBRUHFSHOBWOX-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine (CID 142898848) is 5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine is Cc1cccc(Nc2nc(C)ncc2Br)c1.
What is the InChIKey of 5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine?
The InChIKey is WGBRUHFSHOBWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-4-3-5-10(6-8)16-12-11(13)7-14-9(2)15-12/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine?
5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine has a molecular weight of 278.15 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 142898848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).