N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C22H19N5 — CID 46887397

IUPACN-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CCc2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3[nH]2)cc1
InChIInChI=1S/C22H19N5/c1-2-4-15(5-3-1)6-7-18-13-19-21(24-14-25-22(19)27-18)26-17-8-9-20-16(12-17)10-11-23-20/h1-5,8-14,23H,6-7H2,(H2,24,25,26,27)
InChIKeyPWLPHODRHOUKAZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.97
Rot. Bonds5

About N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 46887397) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID46887397
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CCc2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3[nH]2)cc1
InChIInChI=1S/C22H19N5/c1-2-4-15(5-3-1)6-7-18-13-19-21(24-14-25-22(19)27-18)26-17-8-9-20-16(12-17)10-11-23-20/h1-5,8-14,23H,6-7H2,(H2,24,25,26,27)
InChIKeyPWLPHODRHOUKAZ-UHFFFAOYSA-N
XLogP4.97
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 46887397) is N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1ccc(CCc2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3[nH]2)cc1.
What is the InChIKey of N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PWLPHODRHOUKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-2-4-15(5-3-1)6-7-18-13-19-21(24-14-25-22(19)27-18)26-17-8-9-20-16(12-17)10-11-23-20/h1-5,8-14,23H,6-7H2,(H2,24,25,26,27).
What are the key properties of N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 353.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46887397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).