6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine

C7H11N5O2 — CID 112681592

IUPAC6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C7H11N5O2/c8-6-10-5(11-7(9)12-6)4-3-13-1-2-14-4/h4H,1-3H2,(H4,8,9,10,11,12)
InChIKeyOBQRUTALARPZPZ-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.88
Rot. Bonds1

About 6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine

6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681592) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID112681592
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C7H11N5O2/c8-6-10-5(11-7(9)12-6)4-3-13-1-2-14-4/h4H,1-3H2,(H4,8,9,10,11,12)
InChIKeyOBQRUTALARPZPZ-UHFFFAOYSA-N
XLogP-0.88
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
CID 65356333
4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65356930
2-(1,4-dioxan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 65351732
2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 65351633
2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine
CID 65352118
5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine
CID 66293308
3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 65353797
4-chloro-2-(1,4-dioxan-2-yl)pyrimidine
CID 65350726
2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid
CID 65351840
5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine
CID 66292667
5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine
CID 66292604
N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine
CID 65351537

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine (CID 112681592) is 6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2COCCO2)n1.
What is the InChIKey of 6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OBQRUTALARPZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-6-10-5(11-7(9)12-6)4-3-13-1-2-14-4/h4H,1-3H2,(H4,8,9,10,11,12).
What are the key properties of 6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 197.20 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).