5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine

C22H22N4 — CID 10450080

IUPAC5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3)nc(N)c12
InChIInChI=1S/C22H22N4/c1-14-15(2)26(16(3)17-10-6-4-7-11-17)22-19(14)20(23)24-21(25-22)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25)/t16-/m1/s1
InChIKeyRIUJMAVYUMOPIM-MRXNPFEDSA-N
MW342.45 g/mol
LogP4.91
Rot. Bonds3

About 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10450080) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10450080
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3)nc(N)c12
InChIInChI=1S/C22H22N4/c1-14-15(2)26(16(3)17-10-6-4-7-11-17)22-19(14)20(23)24-21(25-22)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25)/t16-/m1/s1
InChIKeyRIUJMAVYUMOPIM-MRXNPFEDSA-N
XLogP4.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[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

6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
1954U89
CID 177894
Antalarmin
CID 177990
7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 1475476
Importazole
CID 2949965
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
Neocryptolepine
CID 390526
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
8-isopropyl-2,6-diphenyl-9H-purine
CID 11536936
1-[[4-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52945312
6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]pyrimidine-2,4-diamine
CID 6914626
7-Isopropyl-8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 467895

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 10450080) is 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3)nc(N)c12.
What is the InChIKey of 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RIUJMAVYUMOPIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N4/c1-14-15(2)26(16(3)17-10-6-4-7-11-17)22-19(14)20(23)24-21(25-22)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25)/t16-/m1/s1.
What are the key properties of 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 342.45 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10450080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).