1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine

C19H17BrN6 — CID 15950142

IUPAC1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine
SMILESCc1cc(Br)cc(C)c1Nc1nc2ccccc2n1-c1cc(N)ncn1
InChIInChI=1S/C19H17BrN6/c1-11-7-13(20)8-12(2)18(11)25-19-24-14-5-3-4-6-15(14)26(19)17-9-16(21)22-10-23-17/h3-10H,1-2H3,(H,24,25)(H2,21,22,23)
InChIKeyIYPXINUXUQCPAS-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.52
Rot. Bonds3

About 1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine

1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine (PubChem CID 15950142) has the molecular formula C19H17BrN6 and a molecular weight of 409.29 g/mol. Its IUPAC name is 1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine
PubChem CID15950142
Molecular FormulaC19H17BrN6
Molecular Weight409.29 g/mol
Exact Mass408.07
IUPAC Name1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine
SMILESCc1cc(Br)cc(C)c1Nc1nc2ccccc2n1-c1cc(N)ncn1
InChIInChI=1S/C19H17BrN6/c1-11-7-13(20)8-12(2)18(11)25-19-24-14-5-3-4-6-15(14)26(19)17-9-16(21)22-10-23-17/h3-10H,1-2H3,(H,24,25)(H2,21,22,23)
InChIKeyIYPXINUXUQCPAS-UHFFFAOYSA-N
XLogP4.52
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine?
The IUPAC name of 1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine (CID 15950142) is 1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine?
The canonical SMILES for 1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine is Cc1cc(Br)cc(C)c1Nc1nc2ccccc2n1-c1cc(N)ncn1.
What is the InChIKey of 1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine?
The InChIKey is IYPXINUXUQCPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN6/c1-11-7-13(20)8-12(2)18(11)25-19-24-14-5-3-4-6-15(14)26(19)17-9-16(21)22-10-23-17/h3-10H,1-2H3,(H,24,25)(H2,21,22,23).
What are the key properties of 1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine?
1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine has a molecular weight of 409.29 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyrimidin-4-yl)-N-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 15950142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).