2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C13H22N6O — CID 80789723

IUPAC2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CCOCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22N6O/c14-11-16-12(15-10-4-8-20-9-5-10)18-13(17-11)19-6-2-1-3-7-19/h10H,1-9H2,(H3,14,15,16,17,18)
InChIKeyGJJKSOYQQPYWMV-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.03
Rot. Bonds3

About 2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80789723) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80789723
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CCOCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22N6O/c14-11-16-12(15-10-4-8-20-9-5-10)18-13(17-11)19-6-2-1-3-7-19/h10H,1-9H2,(H3,14,15,16,17,18)
InChIKeyGJJKSOYQQPYWMV-UHFFFAOYSA-N
XLogP1.03
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 83027145
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
2-N-(3,4-dimethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80827386
2-N-(3,3-dimethylcyclopentyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 114542148
6-piperidin-1-yl-2-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 80836332
2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80830801
4-hydrazinyl-N-(oxan-3-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80906487
4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62869030
4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870590
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
CID 80825889
2-N-(2,3-dimethylcyclopentyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80826348
2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80769956

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80789723) is 2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(NC2CCOCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is GJJKSOYQQPYWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c14-11-16-12(15-10-4-8-20-9-5-10)18-13(17-11)19-6-2-1-3-7-19/h10H,1-9H2,(H3,14,15,16,17,18).
What are the key properties of 2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80789723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).