5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine

C17H20BrN3 — CID 66302748

IUPAC5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2cc(C)cc(C)c2)nc(C2CC2)c1Br
InChIInChI=1S/C17H20BrN3/c1-10-6-11(2)8-12(7-10)9-14-20-16(13-4-5-13)15(18)17(19-3)21-14/h6-8,13H,4-5,9H2,1-3H3,(H,19,20,21)
InChIKeyBAEJKFKEYQIYKF-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.37
Rot. Bonds4

About 5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 66302748) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID66302748
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2cc(C)cc(C)c2)nc(C2CC2)c1Br
InChIInChI=1S/C17H20BrN3/c1-10-6-11(2)8-12(7-10)9-14-20-16(13-4-5-13)15(18)17(19-3)21-14/h6-8,13H,4-5,9H2,1-3H3,(H,19,20,21)
InChIKeyBAEJKFKEYQIYKF-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine (CID 66302748) is 5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine is CNc1nc(Cc2cc(C)cc(C)c2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is BAEJKFKEYQIYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-10-6-11(2)8-12(7-10)9-14-20-16(13-4-5-13)15(18)17(19-3)21-14/h6-8,13H,4-5,9H2,1-3H3,(H,19,20,21).
What are the key properties of 5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 346.27 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66302748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).