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

C15H15BrN4 — CID 43337037

IUPAC7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-n2c(C)c(C)c3c(N)ncnc32)c(Br)c1
InChIInChI=1S/C15H15BrN4/c1-8-4-5-12(11(16)6-8)20-10(3)9(2)13-14(17)18-7-19-15(13)20/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyXVGOTJJWKXYSBB-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.69
Rot. Bonds1

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

7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43337037) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43337037
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-n2c(C)c(C)c3c(N)ncnc32)c(Br)c1
InChIInChI=1S/C15H15BrN4/c1-8-4-5-12(11(16)6-8)20-10(3)9(2)13-14(17)18-7-19-15(13)20/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyXVGOTJJWKXYSBB-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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Related Compounds

7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43159231
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-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337046
7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 82859088
7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43159203
5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 79778728
7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4962416
5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62314662
7-(4-fluoro-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 114840511
10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898435
1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 56944277

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 43337037) is 7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(-n2c(C)c(C)c3c(N)ncnc32)c(Br)c1.
What is the InChIKey of 7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XVGOTJJWKXYSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-8-4-5-12(11(16)6-8)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-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(2-bromo-4-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-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43337037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).