2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C12H23N7 — CID 80769992

IUPAC2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCNc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H23N7/c1-18(2)9-6-14-11-15-10(13)16-12(17-11)19-7-4-3-5-8-19/h3-9H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyWFSLMIONRMLMSN-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.42
Rot. Bonds5

About 2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80769992) has the molecular formula C12H23N7 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80769992
Molecular FormulaC12H23N7
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCNc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H23N7/c1-18(2)9-6-14-11-15-10(13)16-12(17-11)19-7-4-3-5-8-19/h3-9H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyWFSLMIONRMLMSN-UHFFFAOYSA-N
XLogP0.42
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769896
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819399
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
CID 104767021
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
6-piperidin-1-yl-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828963
2-N-[2-(dimethylamino)-2-methylpropyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80812452
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325
2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 115327658
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80769992) is 2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is CN(C)CCNc1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is WFSLMIONRMLMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7/c1-18(2)9-6-14-11-15-10(13)16-12(17-11)19-7-4-3-5-8-19/h3-9H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 265.36 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80769992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).