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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-fluoro-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 114840511
7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43159231
7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4962416
7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337037
7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337046
8,9-bis(3,4-dimethoxyphenyl)purin-6-amine
CID 25140418
5,6-dimethyl-7-(2,4,5-trichlorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 23335315
7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43336950
7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 46290375
5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 79778728
4-(4-bromo-3-methoxyphenyl)-3-methyl-1H-1,2,4-triazole-5-thione
CID 82861054
7-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 154881006

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).