7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

C24H24N4O — CID 12968174

IUPAC7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1
InChIInChI=1S/C24H24N4O/c1-16-21(17-11-13-20(14-12-17)29-19-9-3-2-4-10-19)22-23(25)26-15-27-24(22)28(16)18-7-5-6-8-18/h2-4,9-15,18H,5-8H2,1H3,(H2,25,26,27)
InChIKeyQDRHYWFULQVDMF-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.90
Rot. Bonds4

About 7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 12968174) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID12968174
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1
InChIInChI=1S/C24H24N4O/c1-16-21(17-11-13-20(14-12-17)29-19-9-3-2-4-10-19)22-23(25)26-15-27-24(22)28(16)18-7-5-6-8-18/h2-4,9-15,18H,5-8H2,1H3,(H2,25,26,27)
InChIKeyQDRHYWFULQVDMF-UHFFFAOYSA-N
XLogP5.90
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 12968174) is 7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QDRHYWFULQVDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-21(17-11-13-20(14-12-17)29-19-9-3-2-4-10-19)22-23(25)26-15-27-24(22)28(16)18-7-5-6-8-18/h2-4,9-15,18H,5-8H2,1H3,(H2,25,26,27).
What are the key properties of 7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 384.48 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 12968174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).