5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine

C15H18BrN3 — CID 66299903

IUPAC5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(C)c2)nc(C(C)C)c1Br
InChIInChI=1S/C15H18BrN3/c1-9(2)13-12(16)15(17-4)19-14(18-13)11-7-5-6-10(3)8-11/h5-9H,1-4H3,(H,17,18,19)
InChIKeyPUOCJFRZODPEIG-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.38
Rot. Bonds3

About 5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66299903) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID66299903
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(C)c2)nc(C(C)C)c1Br
InChIInChI=1S/C15H18BrN3/c1-9(2)13-12(16)15(17-4)19-14(18-13)11-7-5-6-10(3)8-11/h5-9H,1-4H3,(H,17,18,19)
InChIKeyPUOCJFRZODPEIG-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine (CID 66299903) is 5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine is CNc1nc(-c2cccc(C)c2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is PUOCJFRZODPEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-9(2)13-12(16)15(17-4)19-14(18-13)11-7-5-6-10(3)8-11/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66299903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).