7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

C22H25N5 — CID 67563738

IUPAC7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)(C)Cn1c(Cc2ccc(-n3cccc3)cc2)cc2cnc(N)nc21
InChIInChI=1S/C22H25N5/c1-22(2,3)15-27-19(13-17-14-24-21(23)25-20(17)27)12-16-6-8-18(9-7-16)26-10-4-5-11-26/h4-11,13-14H,12,15H2,1-3H3,(H2,23,24,25)
InChIKeyOWKLHHQRZGDJCF-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.44
Rot. Bonds4

About 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 67563738) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID67563738
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)(C)Cn1c(Cc2ccc(-n3cccc3)cc2)cc2cnc(N)nc21
InChIInChI=1S/C22H25N5/c1-22(2,3)15-27-19(13-17-14-24-21(23)25-20(17)27)12-16-6-8-18(9-7-16)26-10-4-5-11-26/h4-11,13-14H,12,15H2,1-3H3,(H2,23,24,25)
InChIKeyOWKLHHQRZGDJCF-UHFFFAOYSA-N
XLogP4.44
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 67563738) is 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is CC(C)(C)Cn1c(Cc2ccc(-n3cccc3)cc2)cc2cnc(N)nc21.
What is the InChIKey of 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is OWKLHHQRZGDJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-22(2,3)15-27-19(13-17-14-24-21(23)25-20(17)27)12-16-6-8-18(9-7-16)26-10-4-5-11-26/h4-11,13-14H,12,15H2,1-3H3,(H2,23,24,25).
What are the key properties of 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 359.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 67563738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).