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

C20H21N7O — CID 90656757

IUPAC4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine
SMILESCN(C)CCOc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1
InChIInChI=1S/C20H21N7O/c1-27(2)7-8-28-19-12-22-11-18(25-19)13-3-4-16-14(9-13)15(10-24-16)17-5-6-23-20(21)26-17/h3-6,9-12,24H,7-8H2,1-2H3,(H2,21,23,26)
InChIKeyOOKQFYPMRWKVRB-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.60
Rot. Bonds6

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

4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine (PubChem CID 90656757) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine
PubChem CID90656757
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine
SMILESCN(C)CCOc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1
InChIInChI=1S/C20H21N7O/c1-27(2)7-8-28-19-12-22-11-18(25-19)13-3-4-16-14(9-13)15(10-24-16)17-5-6-23-20(21)26-17/h3-6,9-12,24H,7-8H2,1-2H3,(H2,21,23,26)
InChIKeyOOKQFYPMRWKVRB-UHFFFAOYSA-N
XLogP2.60
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.60
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-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine (CID 90656757) is 4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine is CN(C)CCOc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1.
What is the InChIKey of 4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine?
The InChIKey is OOKQFYPMRWKVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-27(2)7-8-28-19-12-22-11-18(25-19)13-3-4-16-14(9-13)15(10-24-16)17-5-6-23-20(21)26-17/h3-6,9-12,24H,7-8H2,1-2H3,(H2,21,23,26).
What are the key properties of 4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine?
4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine has a molecular weight of 375.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 90656757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).