7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

C23H22N4O — CID 19597400

IUPAC7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cccc(Oc3ccccc3)c1)cn2C1CCCC1
InChIInChI=1S/C23H22N4O/c24-22-21-20(14-27(17-8-4-5-9-17)23(21)26-15-25-22)16-7-6-12-19(13-16)28-18-10-2-1-3-11-18/h1-3,6-7,10-15,17H,4-5,8-9H2,(H2,24,25,26)
InChIKeyOWDYYQABYMVBBC-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.59
Rot. Bonds4

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

7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 19597400) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID19597400
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cccc(Oc3ccccc3)c1)cn2C1CCCC1
InChIInChI=1S/C23H22N4O/c24-22-21-20(14-27(17-8-4-5-9-17)23(21)26-15-25-22)16-7-6-12-19(13-16)28-18-10-2-1-3-11-18/h1-3,6-7,10-15,17H,4-5,8-9H2,(H2,24,25,26)
InChIKeyOWDYYQABYMVBBC-UHFFFAOYSA-N
XLogP5.59
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 19597400) is 7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1cccc(Oc3ccccc3)c1)cn2C1CCCC1.
What is the InChIKey of 7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OWDYYQABYMVBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-8-4-5-9-17)23(21)26-15-25-22)16-7-6-12-19(13-16)28-18-10-2-1-3-11-18/h1-3,6-7,10-15,17H,4-5,8-9H2,(H2,24,25,26).
What are the key properties of 7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 370.46 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 19597400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).