4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine

C14H22N4O2 — CID 65356333

IUPAC4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(C2CCCCCC2)nc(C2COCCO2)n1
InChIInChI=1S/C14H22N4O2/c15-14-17-12(10-5-3-1-2-4-6-10)16-13(18-14)11-9-19-7-8-20-11/h10-11H,1-9H2,(H2,15,16,17,18)
InChIKeyMFEBEXAZFDEVCU-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.98
Rot. Bonds2

About 4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine

4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 65356333) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
PubChem CID65356333
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(C2CCCCCC2)nc(C2COCCO2)n1
InChIInChI=1S/C14H22N4O2/c15-14-17-12(10-5-3-1-2-4-6-10)16-13(18-14)11-9-19-7-8-20-11/h10-11H,1-9H2,(H2,15,16,17,18)
InChIKeyMFEBEXAZFDEVCU-UHFFFAOYSA-N
XLogP1.98
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681592
4-cyclohexyl-6-cyclopentyl-1,3,5-triazin-2-amine
CID 63868885
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
4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine
CID 83241557
4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine
CID 80636937
4-cyclopentyl-6-(4-propan-2-ylcyclohexyl)-1,3,5-triazin-2-amine
CID 65401606
6-cyclohexyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 67217441
4-cyclohexyl-6-(4-methoxyoxan-4-yl)-1,3,5-triazin-2-amine
CID 116782007
5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine
CID 66292667
2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 65351633
4-cyclopentyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 55251303

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine (CID 65356333) is 4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine is Nc1nc(C2CCCCCC2)nc(C2COCCO2)n1.
What is the InChIKey of 4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is MFEBEXAZFDEVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-14-17-12(10-5-3-1-2-4-6-10)16-13(18-14)11-9-19-7-8-20-11/h10-11H,1-9H2,(H2,15,16,17,18).
What are the key properties of 4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65356333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).