N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H14N4O — CID 141025097

IUPACN-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
InChIInChI=1S/C18H14N4O/c1-2-4-14(5-3-1)23-15-8-6-13(7-9-15)22-18-16-10-11-19-17(16)20-12-21-18/h1-12H,(H2,19,20,21,22)
InChIKeyQZBWRRCYSQGONG-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.49
Rot. Bonds4

About N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 141025097) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID141025097
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC NameN-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
InChIInChI=1S/C18H14N4O/c1-2-4-14(5-3-1)23-15-8-6-13(7-9-15)22-18-16-10-11-19-17(16)20-12-21-18/h1-12H,(H2,19,20,21,22)
InChIKeyQZBWRRCYSQGONG-UHFFFAOYSA-N
XLogP4.49
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 141025097) is N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QZBWRRCYSQGONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-2-4-14(5-3-1)23-15-8-6-13(7-9-15)22-18-16-10-11-19-17(16)20-12-21-18/h1-12H,(H2,19,20,21,22).
What are the key properties of N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 141025097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).