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

C15H15BrN4O — CID 82859088

IUPAC7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(-n2c(C)c(C)c3c(N)ncnc32)ccc1Br
InChIInChI=1S/C15H15BrN4O/c1-8-9(2)20(15-13(8)14(17)18-7-19-15)10-4-5-11(16)12(6-10)21-3/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyRWNVQNOOBDSHJI-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.39
Rot. Bonds2

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

7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 82859088) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID82859088
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(-n2c(C)c(C)c3c(N)ncnc32)ccc1Br
InChIInChI=1S/C15H15BrN4O/c1-8-9(2)20(15-13(8)14(17)18-7-19-15)10-4-5-11(16)12(6-10)21-3/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyRWNVQNOOBDSHJI-UHFFFAOYSA-N
XLogP3.39
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 82859088) is 7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is COc1cc(-n2c(C)c(C)c3c(N)ncnc32)ccc1Br.
What is the InChIKey of 7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RWNVQNOOBDSHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-8-9(2)20(15-13(8)14(17)18-7-19-15)10-4-5-11(16)12(6-10)21-3/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 347.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82859088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).