4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C12H22N6 — CID 80767241

IUPAC4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H22N6/c1-3-17(4-2)11-14-10(13)15-12(16-11)18-8-6-5-7-9-18/h3-9H2,1-2H3,(H2,13,14,15,16)
InChIKeyPKCFZPSGFYQMHC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.29
Rot. Bonds4

About 4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80767241) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80767241
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H22N6/c1-3-17(4-2)11-14-10(13)15-12(16-11)18-8-6-5-7-9-18/h3-9H2,1-2H3,(H2,13,14,15,16)
InChIKeyPKCFZPSGFYQMHC-UHFFFAOYSA-N
XLogP1.29
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80789831
4-N-ethyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80814474
4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 107403125
6-(4,4-dimethylpiperidin-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80824382
4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80804954
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(cyanomethyl)amino]acetonitrile
CID 80753881
4-N,4-N-diethyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80797361
6-[3-(dimethylamino)piperidin-1-yl]-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80833498
4-N-ethyl-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80756957
4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-2-one
CID 80842578
1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
CID 106674471
4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80855576

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80767241) is 4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PKCFZPSGFYQMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-3-17(4-2)11-14-10(13)15-12(16-11)18-8-6-5-7-9-18/h3-9H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80767241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).