2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C8H14N6O — CID 91225017

IUPAC2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(NCC2CCCO2)n1
InChIInChI=1S/C8H14N6O/c9-6-12-7(10)14-8(13-6)11-4-5-2-1-3-15-5/h5H,1-4H2,(H5,9,10,11,12,13,14)
InChIKeySSQLXKAIFLANQX-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.37
Rot. Bonds3

About 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 91225017) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID91225017
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(NCC2CCCO2)n1
InChIInChI=1S/C8H14N6O/c9-6-12-7(10)14-8(13-6)11-4-5-2-1-3-15-5/h5H,1-4H2,(H5,9,10,11,12,13,14)
InChIKeySSQLXKAIFLANQX-UHFFFAOYSA-N
XLogP-0.37
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-4-N-(oxolan-2-ylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 76333202
2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 15370783
4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 22355009
4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 60727030
2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 69806232
6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 79020332
(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23758281
(2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23758282
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-octyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23758497
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23758499
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23787627
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23816506

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 91225017) is 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(NCC2CCCO2)n1.
What is the InChIKey of 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SSQLXKAIFLANQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O/c9-6-12-7(10)14-8(13-6)11-4-5-2-1-3-15-5/h5H,1-4H2,(H5,9,10,11,12,13,14).
What are the key properties of 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 210.24 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 91225017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).