5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine

C23H22N4O — CID 54420151

IUPAC5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)cn2C1CC(OCc2ccccc2)C1
InChIInChI=1S/C23H22N4O/c24-22-21-20(17-9-5-2-6-10-17)13-27(23(21)26-15-25-22)18-11-19(12-18)28-14-16-7-3-1-4-8-16/h1-10,13,15,18-19H,11-12,14H2,(H2,24,25,26)
InChIKeyWAFNMGNFJCEYLZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.60
Rot. Bonds5

About 5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine

5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 54420151) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID54420151
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)cn2C1CC(OCc2ccccc2)C1
InChIInChI=1S/C23H22N4O/c24-22-21-20(17-9-5-2-6-10-17)13-27(23(21)26-15-25-22)18-11-19(12-18)28-14-16-7-3-1-4-8-16/h1-10,13,15,18-19H,11-12,14H2,(H2,24,25,26)
InChIKeyWAFNMGNFJCEYLZ-UHFFFAOYSA-N
XLogP4.60
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 54420151) is 5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccccc1)cn2C1CC(OCc2ccccc2)C1.
What is the InChIKey of 5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WAFNMGNFJCEYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-22-21-20(17-9-5-2-6-10-17)13-27(23(21)26-15-25-22)18-11-19(12-18)28-14-16-7-3-1-4-8-16/h1-10,13,15,18-19H,11-12,14H2,(H2,24,25,26).
What are the key properties of 5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine?
5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 370.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54420151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).