N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C28H25N5O2 — CID 155552072

IUPACN-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESc1ccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]cc(-c4ccccc4)c23)cc1
InChIInChI=1S/C28H25N5O2/c1-3-7-20(8-4-1)24-19-29-26-25(24)27(35-23-9-5-2-6-10-23)32-28(31-26)30-21-11-13-22(14-12-21)33-15-17-34-18-16-33/h1-14,19H,15-18H2,(H2,29,30,31,32)
InChIKeyCVDLGIFGCJEVOM-UHFFFAOYSA-N
MW463.54 g/mol
LogP6.00
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 155552072) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID155552072
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESc1ccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]cc(-c4ccccc4)c23)cc1
InChIInChI=1S/C28H25N5O2/c1-3-7-20(8-4-1)24-19-29-26-25(24)27(35-23-9-5-2-6-10-23)32-28(31-26)30-21-11-13-22(14-12-21)33-15-17-34-18-16-33/h1-14,19H,15-18H2,(H2,29,30,31,32)
InChIKeyCVDLGIFGCJEVOM-UHFFFAOYSA-N
XLogP6.00
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155538122
5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155547912
N-[3-[[2-(4-morpholin-4-ylanilino)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide
CID 155530459
CID 175425785
CID 175425785
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
1-[4-[[5-[6-(methylamino)-2-pyridinyl]-2-(4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]prop-2-en-1-one
CID 155564156
4-morpholin-4-yl-N-phenylaniline
CID 159018746
[3-[4-methoxy-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
CID 150561397
5-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184886
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide
CID 130337584
N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 17129734

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 155552072) is N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is c1ccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]cc(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is CVDLGIFGCJEVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-3-7-20(8-4-1)24-19-29-26-25(24)27(35-23-9-5-2-6-10-23)32-28(31-26)30-21-11-13-22(14-12-21)33-15-17-34-18-16-33/h1-14,19H,15-18H2,(H2,29,30,31,32).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 463.54 g/mol, XLogP of 6.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 155552072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).