7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C15H15BrN4 — CID 43159231

IUPAC7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(-n2c(C)c(C)c3c(N)ncnc32)ccc1Br
InChIInChI=1S/C15H15BrN4/c1-8-6-11(4-5-12(8)16)20-10(3)9(2)13-14(17)18-7-19-15(13)20/h4-7H,1-3H3,(H2,17,18,19)
InChIKeySKVRWBYDUTUDLP-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.69
Rot. Bonds1

About 7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43159231) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43159231
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(-n2c(C)c(C)c3c(N)ncnc32)ccc1Br
InChIInChI=1S/C15H15BrN4/c1-8-6-11(4-5-12(8)16)20-10(3)9(2)13-14(17)18-7-19-15(13)20/h4-7H,1-3H3,(H2,17,18,19)
InChIKeySKVRWBYDUTUDLP-UHFFFAOYSA-N
XLogP3.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 43159231) is 7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc(-n2c(C)c(C)c3c(N)ncnc32)ccc1Br.
What is the InChIKey of 7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SKVRWBYDUTUDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-8-6-11(4-5-12(8)16)20-10(3)9(2)13-14(17)18-7-19-15(13)20/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 331.22 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43159231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).