6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine

C20H25N7 — CID 16584809

IUPAC6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN1CCN(Cc2nc(N)nc(Nc3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H25N7/c1-2-26-10-12-27(13-11-26)14-18-23-19(21)25-20(24-18)22-17-9-5-7-15-6-3-4-8-16(15)17/h3-9H,2,10-14H2,1H3,(H3,21,22,23,24,25)
InChIKeyDQNNVGTWFOUHMR-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.49
Rot. Bonds5

About 6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine

6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 16584809) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID16584809
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN1CCN(Cc2nc(N)nc(Nc3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H25N7/c1-2-26-10-12-27(13-11-26)14-18-23-19(21)25-20(24-18)22-17-9-5-7-15-6-3-4-8-16(15)17/h3-9H,2,10-14H2,1H3,(H3,21,22,23,24,25)
InChIKeyDQNNVGTWFOUHMR-UHFFFAOYSA-N
XLogP2.49
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine (CID 16584809) is 6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine is CCN1CCN(Cc2nc(N)nc(Nc3cccc4ccccc34)n2)CC1.
What is the InChIKey of 6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is DQNNVGTWFOUHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-2-26-10-12-27(13-11-26)14-18-23-19(21)25-20(24-18)22-17-9-5-7-15-6-3-4-8-16(15)17/h3-9H,2,10-14H2,1H3,(H3,21,22,23,24,25).
What are the key properties of 6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine?
6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 363.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 16584809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).