6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C24H25N5O — CID 165390845

IUPAC6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(COc2ccc(-c3cc4c(NC5CCNCC5)ncnc4[nH]3)cc2)cc1
InChIInChI=1S/C24H25N5O/c1-2-4-17(5-3-1)15-30-20-8-6-18(7-9-20)22-14-21-23(26-16-27-24(21)29-22)28-19-10-12-25-13-11-19/h1-9,14,16,19,25H,10-13,15H2,(H2,26,27,28,29)
InChIKeyXMCDBBISOZIBQF-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.37
Rot. Bonds6

About 6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 165390845) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID165390845
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(COc2ccc(-c3cc4c(NC5CCNCC5)ncnc4[nH]3)cc2)cc1
InChIInChI=1S/C24H25N5O/c1-2-4-17(5-3-1)15-30-20-8-6-18(7-9-20)22-14-21-23(26-16-27-24(21)29-22)28-19-10-12-25-13-11-19/h1-9,14,16,19,25H,10-13,15H2,(H2,26,27,28,29)
InChIKeyXMCDBBISOZIBQF-UHFFFAOYSA-N
XLogP4.37
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 165390845) is 6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1ccc(COc2ccc(-c3cc4c(NC5CCNCC5)ncnc4[nH]3)cc2)cc1.
What is the InChIKey of 6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XMCDBBISOZIBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-2-4-17(5-3-1)15-30-20-8-6-18(7-9-20)22-14-21-23(26-16-27-24(21)29-22)28-19-10-12-25-13-11-19/h1-9,14,16,19,25H,10-13,15H2,(H2,26,27,28,29).
What are the key properties of 6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyphenyl)-N-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 165390845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).