4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C23H29N7O3 — CID 23536078

IUPAC4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCCC1CN(c2ccc(-c3ncnc(Nc4cc(OC)c(OC)c(OC)c4)n3)cn2)CCN1
InChIInChI=1S/C23H29N7O3/c1-5-16-13-30(9-8-24-16)20-7-6-15(12-25-20)22-26-14-27-23(29-22)28-17-10-18(31-2)21(33-4)19(11-17)32-3/h6-7,10-12,14,16,24H,5,8-9,13H2,1-4H3,(H,26,27,28,29)
InChIKeyJSYBGZWTFZMUDJ-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.89
Rot. Bonds8

About 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 23536078) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID23536078
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCCC1CN(c2ccc(-c3ncnc(Nc4cc(OC)c(OC)c(OC)c4)n3)cn2)CCN1
InChIInChI=1S/C23H29N7O3/c1-5-16-13-30(9-8-24-16)20-7-6-15(12-25-20)22-26-14-27-23(29-22)28-17-10-18(31-2)21(33-4)19(11-17)32-3/h6-7,10-12,14,16,24H,5,8-9,13H2,1-4H3,(H,26,27,28,29)
InChIKeyJSYBGZWTFZMUDJ-UHFFFAOYSA-N
XLogP2.89
TPSA106.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 23536078) is 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is CCC1CN(c2ccc(-c3ncnc(Nc4cc(OC)c(OC)c(OC)c4)n3)cn2)CCN1.
What is the InChIKey of 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is JSYBGZWTFZMUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-5-16-13-30(9-8-24-16)20-7-6-15(12-25-20)22-26-14-27-23(29-22)28-17-10-18(31-2)21(33-4)19(11-17)32-3/h6-7,10-12,14,16,24H,5,8-9,13H2,1-4H3,(H,26,27,28,29).
What are the key properties of 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 451.53 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23536078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).