6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

C23H23N5O — CID 90150400

IUPAC6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCNC1
InChIInChI=1S/C23H23N5O/c1-15-20(16-7-9-19(10-8-16)29-18-5-3-2-4-6-18)21-22(24)26-14-27-23(21)28(15)17-11-12-25-13-17/h2-10,14,17,25H,11-13H2,1H3,(H2,24,26,27)
InChIKeyPSYCAYFGXBKYAN-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.32
Rot. Bonds4

About 6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 90150400) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID90150400
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCNC1
InChIInChI=1S/C23H23N5O/c1-15-20(16-7-9-19(10-8-16)29-18-5-3-2-4-6-18)21-22(24)26-14-27-23(21)28(15)17-11-12-25-13-17/h2-10,14,17,25H,11-13H2,1H3,(H2,24,26,27)
InChIKeyPSYCAYFGXBKYAN-UHFFFAOYSA-N
XLogP4.32
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-amino-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutan-1-ol
CID 163376647
tert-butyl formate;5-[4-(3-fluorophenoxy)phenyl]-6-methyl-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 175290952
tert-butyl 4-[4-amino-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 90150186
(E)-1-[(3R)-3-[4-amino-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)but-2-enoic acid;6-methyl-5-(4-phenoxyphenyl)-7-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde
CID 160747773
6-chloro-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 12968172
7-cyclobutyl-6-iodo-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 167079933
6-bromo-7-cyclohexyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156857293
tert-butyl formate;5-(4-phenoxyphenyl)-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 174760975
6-bromo-7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 22736318
5-(4-phenoxyphenyl)-6-[(pyrrolidin-3-ylamino)methyl]pyrimidin-4-amine
CID 175098255
tert-butyl 3-[4-amino-6-bromo-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate
CID 90150333
3-(4-phenoxyphenyl)-1-[1-(1-piperidin-4-ylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 139945625

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 90150400) is 6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCNC1.
What is the InChIKey of 6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PSYCAYFGXBKYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-20(16-7-9-19(10-8-16)29-18-5-3-2-4-6-18)21-22(24)26-14-27-23(21)28(15)17-11-12-25-13-17/h2-10,14,17,25H,11-13H2,1H3,(H2,24,26,27).
What are the key properties of 6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 385.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 90150400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).