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

C22H20N6 — CID 44586577

IUPAC4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc3[nH]ccc3c2)c2cc(CCc3ccccc3)[nH]c2n1
InChIInChI=1S/C22H20N6/c23-22-27-20(25-16-8-9-19-15(12-16)10-11-24-19)18-13-17(26-21(18)28-22)7-6-14-4-2-1-3-5-14/h1-5,8-13,24H,6-7H2,(H4,23,25,26,27,28)
InChIKeyFIHNNYNOPNUKJK-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.55
Rot. Bonds5

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

4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 44586577) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID44586577
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc3[nH]ccc3c2)c2cc(CCc3ccccc3)[nH]c2n1
InChIInChI=1S/C22H20N6/c23-22-27-20(25-16-8-9-19-15(12-16)10-11-24-19)18-13-17(26-21(18)28-22)7-6-14-4-2-1-3-5-14/h1-5,8-13,24H,6-7H2,(H4,23,25,26,27,28)
InChIKeyFIHNNYNOPNUKJK-UHFFFAOYSA-N
XLogP4.55
TPSA95.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 44586577) is 4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is Nc1nc(Nc2ccc3[nH]ccc3c2)c2cc(CCc3ccccc3)[nH]c2n1.
What is the InChIKey of 4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is FIHNNYNOPNUKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c23-22-27-20(25-16-8-9-19-15(12-16)10-11-24-19)18-13-17(26-21(18)28-22)7-6-14-4-2-1-3-5-14/h1-5,8-13,24H,6-7H2,(H4,23,25,26,27,28).
What are the key properties of 4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 368.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 44586577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).