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

C16H18N4 — CID 43336950

IUPAC7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-n2c(C)c(C)c3c(N)ncnc32)c1C
InChIInChI=1S/C16H18N4/c1-9-6-5-7-13(10(9)2)20-12(4)11(3)14-15(17)18-8-19-16(14)20/h5-8H,1-4H3,(H2,17,18,19)
InChIKeyFMMGENLVOQKPAZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.24
Rot. Bonds1

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

7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43336950) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43336950
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-n2c(C)c(C)c3c(N)ncnc32)c1C
InChIInChI=1S/C16H18N4/c1-9-6-5-7-13(10(9)2)20-12(4)11(3)14-15(17)18-8-19-16(14)20/h5-8H,1-4H3,(H2,17,18,19)
InChIKeyFMMGENLVOQKPAZ-UHFFFAOYSA-N
XLogP3.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2,3-dimethylphenyl)-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

5,6-dimethyl-7-(2,4,5-trichlorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 23335315
7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337037
10-(2,3-dimethylphenyl)-11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898416
7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43159231
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
7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337046
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
7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 82859088
7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 64597836
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 43336950) is 7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1cccc(-n2c(C)c(C)c3c(N)ncnc32)c1C.
What is the InChIKey of 7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FMMGENLVOQKPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-9-6-5-7-13(10(9)2)20-12(4)11(3)14-15(17)18-8-19-16(14)20/h5-8H,1-4H3,(H2,17,18,19).
What are the key properties of 7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 266.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43336950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).