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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Related Compounds

7-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 22590064
7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3375228
7-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 4188829
1-[3-[[7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 4580981
1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 4048400
7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3391969
N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4125132
N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3523813
2-[[7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 23989868
7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 50749551
N-benzyl-7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4115346
(4-methylphenyl)-[4-[7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 16646700

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).