5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine

C16H20BrN3 — CID 66294519

IUPAC5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine
SMILESCNc1nc(CCC(C)C)nc(-c2ccccc2)c1Br
InChIInChI=1S/C16H20BrN3/c1-11(2)9-10-13-19-15(12-7-5-4-6-8-12)14(17)16(18-3)20-13/h4-8,11H,9-10H2,1-3H3,(H,18,19,20)
InChIKeyNJEWXPLAIAWSRG-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.54
Rot. Bonds5

About 5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine

5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine (PubChem CID 66294519) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine
PubChem CID66294519
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine
SMILESCNc1nc(CCC(C)C)nc(-c2ccccc2)c1Br
InChIInChI=1S/C16H20BrN3/c1-11(2)9-10-13-19-15(12-7-5-4-6-8-12)14(17)16(18-3)20-13/h4-8,11H,9-10H2,1-3H3,(H,18,19,20)
InChIKeyNJEWXPLAIAWSRG-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.54
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-methylbutyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine (CID 66294519) is 5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine is CNc1nc(CCC(C)C)nc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine?
The InChIKey is NJEWXPLAIAWSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-11(2)9-10-13-19-15(12-7-5-4-6-8-12)14(17)16(18-3)20-13/h4-8,11H,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine?
5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.54, 5 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-methylbutyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66294519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).