7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C22H22N4 — CID 4083194

IUPAC7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-n2cc(-c3ccccc3)c3c(NC(C)C)ncnc32)cc1
InChIInChI=1S/C22H22N4/c1-15(2)25-21-20-19(17-7-5-4-6-8-17)13-26(22(20)24-14-23-21)18-11-9-16(3)10-12-18/h4-15H,1-3H3,(H,23,24,25)
InChIKeyKGOJFPWGUAHGQA-UHFFFAOYSA-N
MW342.45 g/mol
LogP5.22
Rot. Bonds4

About 7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4083194) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4083194
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-n2cc(-c3ccccc3)c3c(NC(C)C)ncnc32)cc1
InChIInChI=1S/C22H22N4/c1-15(2)25-21-20-19(17-7-5-4-6-8-17)13-26(22(20)24-14-23-21)18-11-9-16(3)10-12-18/h4-15H,1-3H3,(H,23,24,25)
InChIKeyKGOJFPWGUAHGQA-UHFFFAOYSA-N
XLogP5.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4083194) is 7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(-n2cc(-c3ccccc3)c3c(NC(C)C)ncnc32)cc1.
What is the InChIKey of 7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KGOJFPWGUAHGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-15(2)25-21-20-19(17-7-5-4-6-8-17)13-26(22(20)24-14-23-21)18-11-9-16(3)10-12-18/h4-15H,1-3H3,(H,23,24,25).
What are the key properties of 7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 342.45 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4083194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).