5,6-Dimethyl-2-phenyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine

C22H22N4 — CID 10450080

IUPAC5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1=C(N(C2=NC(=NC(=C12)N)C3=CC=CC=C3)[C@H](C)C4=CC=CC=C4)C
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
MW342.40 g/mol
LogP4.70
Rot. Bonds3

About 5,6-Dimethyl-2-phenyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine

5,6-Dimethyl-2-phenyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine (PubChem CID 10450080) has the molecular formula C22H22N4 and a molecular weight of 342.40 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-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
PubChem CID10450080
Molecular FormulaC22H22N4
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1=C(N(C2=NC(=NC(=C12)N)C3=CC=CC=C3)[C@H](C)C4=CC=CC=C4)C
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
XLogP4.70
TPSA56.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity457

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine?
The IUPAC name of 5,6-Dimethyl-2-phenyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine (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-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine?
The canonical SMILES for 5,6-Dimethyl-2-phenyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine is CC1=C(N(C2=NC(=NC(=C12)N)C3=CC=CC=C3)[C@H](C)C4=CC=CC=C4)C.
What is the InChIKey of 5,6-Dimethyl-2-phenyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine?
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-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine?
5,6-Dimethyl-2-phenyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine has a molecular weight of 342.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-Dimethyl-2-phenyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine is sourced from PubChem (CID 10450080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).