N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine

C22H26N8 — CID 90656761

IUPACN-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1
InChIInChI=1S/C22H26N8/c1-3-30(4-2)10-9-25-21-14-24-13-20(28-21)15-5-6-18-16(11-15)17(12-27-18)19-7-8-26-22(23)29-19/h5-8,11-14,27H,3-4,9-10H2,1-2H3,(H,25,28)(H2,23,26,29)
InChIKeyUYOVRFLWHXLTBC-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.42
Rot. Bonds8

About N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine

N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 90656761) has the molecular formula C22H26N8 and a molecular weight of 402.51 g/mol. Its IUPAC name is N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID90656761
Molecular FormulaC22H26N8
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC NameN-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1
InChIInChI=1S/C22H26N8/c1-3-30(4-2)10-9-25-21-14-24-13-20(28-21)15-5-6-18-16(11-15)17(12-27-18)19-7-8-26-22(23)29-19/h5-8,11-14,27H,3-4,9-10H2,1-2H3,(H,25,28)(H2,23,26,29)
InChIKeyUYOVRFLWHXLTBC-UHFFFAOYSA-N
XLogP3.42
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine (CID 90656761) is N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1.
What is the InChIKey of N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is UYOVRFLWHXLTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8/c1-3-30(4-2)10-9-25-21-14-24-13-20(28-21)15-5-6-18-16(11-15)17(12-27-18)19-7-8-26-22(23)29-19/h5-8,11-14,27H,3-4,9-10H2,1-2H3,(H,25,28)(H2,23,26,29).
What are the key properties of N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine?
N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 402.51 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 90656761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).