4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine

C22H25N7O — CID 90656758

IUPAC4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine
SMILESCCN(CC)CCOc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1
InChIInChI=1S/C22H25N7O/c1-3-29(4-2)9-10-30-21-14-24-13-20(27-21)15-5-6-18-16(11-15)17(12-26-18)19-7-8-25-22(23)28-19/h5-8,11-14,26H,3-4,9-10H2,1-2H3,(H2,23,25,28)
InChIKeyAHFVIIAVAVUYKX-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.38
Rot. Bonds8

About 4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine

4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine (PubChem CID 90656758) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine
PubChem CID90656758
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine
SMILESCCN(CC)CCOc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1
InChIInChI=1S/C22H25N7O/c1-3-29(4-2)9-10-30-21-14-24-13-20(27-21)15-5-6-18-16(11-15)17(12-26-18)19-7-8-25-22(23)28-19/h5-8,11-14,26H,3-4,9-10H2,1-2H3,(H2,23,25,28)
InChIKeyAHFVIIAVAVUYKX-UHFFFAOYSA-N
XLogP3.38
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine (CID 90656758) is 4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine is CCN(CC)CCOc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1.
What is the InChIKey of 4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine?
The InChIKey is AHFVIIAVAVUYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-3-29(4-2)9-10-30-21-14-24-13-20(27-21)15-5-6-18-16(11-15)17(12-26-18)19-7-8-25-22(23)28-19/h5-8,11-14,26H,3-4,9-10H2,1-2H3,(H2,23,25,28).
What are the key properties of 4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine?
4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine has a molecular weight of 403.49 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 90656758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).