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

C10H17N5O — CID 112681556

IUPAC6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC2CCCCO2)n1
InChIInChI=1S/C10H17N5O/c11-9-13-8(14-10(12)15-9)5-4-7-3-1-2-6-16-7/h7H,1-6H2,(H4,11,12,13,14,15)
InChIKeyKCEVSUOPKXMLCW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.54
Rot. Bonds3

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

6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 112681556) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID112681556
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC2CCCCO2)n1
InChIInChI=1S/C10H17N5O/c11-9-13-8(14-10(12)15-9)5-4-7-3-1-2-6-16-7/h7H,1-6H2,(H4,11,12,13,14,15)
InChIKeyKCEVSUOPKXMLCW-UHFFFAOYSA-N
XLogP0.54
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-Octadecoxyethyl)-1,3,5-triazine-2,4-diamine
CID 56617929
6-(Oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681487
6-(2-Heptyloxyethyl)-1,3,5-triazine-2,4-diamine
CID 4109254
4-Ethyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868461
4-(Oxolan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 63868726
4-Methylsulfanyl-6-(oxan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83084807
4-Methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 83085263
4-Chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 83240336
4-Chloro-6-(oxan-2-YL)-1,3,5-triazin-2-amine
CID 83240443
4-Chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 83240679
4-Methyl-6-(oxan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 104253634
4-(Oxan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 104253636

Frequently Asked Questions

What is the IUPAC name of 6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 112681556) is 6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCC2CCCCO2)n1.
What is the InChIKey of 6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is KCEVSUOPKXMLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-9-13-8(14-10(12)15-9)5-4-7-3-1-2-6-16-7/h7H,1-6H2,(H4,11,12,13,14,15).
What are the key properties of 6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 223.28 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).