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

C24H25N5O — CID 12968179

IUPAC6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNCc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1
InChIInChI=1S/C24H25N5O/c25-14-20-21(16-10-12-19(13-11-16)30-18-8-2-1-3-9-18)22-23(26)27-15-28-24(22)29(20)17-6-4-5-7-17/h1-3,8-13,15,17H,4-7,14,25H2,(H2,26,27,28)
InChIKeyPMZVFSAGPDDIJA-UHFFFAOYSA-N
MW399.50 g/mol
LogP5.05
Rot. Bonds5

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

6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 12968179) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID12968179
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNCc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1
InChIInChI=1S/C24H25N5O/c25-14-20-21(16-10-12-19(13-11-16)30-18-8-2-1-3-9-18)22-23(26)27-15-28-24(22)29(20)17-6-4-5-7-17/h1-3,8-13,15,17H,4-7,14,25H2,(H2,26,27,28)
InChIKeyPMZVFSAGPDDIJA-UHFFFAOYSA-N
XLogP5.05
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 6539952
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CID 146659124
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CID 9825149
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CID 58223272
CID 58223272
CID 45270897
CID 45270897
CID 6539953
CID 6539953
CID 6603792
CID 6603792
CID 5289227
CID 5289227
CID 22347110
CID 22347110
CID 5329413
CID 5329413
CID 22736361
CID 22736361

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 12968179) is 6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is NCc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1.
What is the InChIKey of 6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PMZVFSAGPDDIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c25-14-20-21(16-10-12-19(13-11-16)30-18-8-2-1-3-9-18)22-23(26)27-15-28-24(22)29(20)17-6-4-5-7-17/h1-3,8-13,15,17H,4-7,14,25H2,(H2,26,27,28).
What are the key properties of 6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 12968179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).