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

C21H21N5O — CID 19597476

IUPAC5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(-c2ccc(Oc3ccccc3N)cc2)c2c(N)ncnc21
InChIInChI=1S/C21H21N5O/c1-13(2)26-11-16(19-20(23)24-12-25-21(19)26)14-7-9-15(10-8-14)27-18-6-4-3-5-17(18)22/h3-13H,22H2,1-2H3,(H2,23,24,25)
InChIKeyITJWOPPSOKMWCK-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.64
Rot. Bonds4

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

5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 19597476) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID19597476
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(-c2ccc(Oc3ccccc3N)cc2)c2c(N)ncnc21
InChIInChI=1S/C21H21N5O/c1-13(2)26-11-16(19-20(23)24-12-25-21(19)26)14-7-9-15(10-8-14)27-18-6-4-3-5-17(18)22/h3-13H,22H2,1-2H3,(H2,23,24,25)
InChIKeyITJWOPPSOKMWCK-UHFFFAOYSA-N
XLogP4.64
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Nvp-aew541
CID 11476171
Lirafugratinib
CID 155309155
7-[trans-4-(4-Methylpiperazin-1-Yl)cyclohexyl]-5-(4-Phenoxyphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
CID 6539952
Cgp-77675
CID 5311381
Nvp-adw742
CID 9825149
7-(3-(azetidin-1-yl)cyclobutyl)-5-(3-(benzyloxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 45270897
7-Cyclopentyl-5-(4-phenoxy)phenyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamine
CID 6603792
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
5-(4-Phenoxyphenyl)-7-(Tetrahydro-2h-Pyran-4-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
CID 22736361
7-[3-(Azetidin-1-Ylmethyl)cyclobutyl]-5-[3-[[(2~{r})-Oxan-2-Yl]methoxy]phenyl]pyrrolo[2,3-D]pyrimidin-4-Amine
CID 67035535
N~4~-Methyl-N~2~-[2-Methyl-1-(2-Phenoxyphenyl)-1h-Indol-6-Yl]pyrimidine-2,4-Diamine
CID 121005806

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 19597476) is 5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)n1cc(-c2ccc(Oc3ccccc3N)cc2)c2c(N)ncnc21.
What is the InChIKey of 5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ITJWOPPSOKMWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13(2)26-11-16(19-20(23)24-12-25-21(19)26)14-7-9-15(10-8-14)27-18-6-4-3-5-17(18)22/h3-13H,22H2,1-2H3,(H2,23,24,25).
What are the key properties of 5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 359.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 19597476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).