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

C10H16N4O2 — CID 65356930

IUPAC4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C10H16N4O2/c1-2-3-8-12-9(14-10(11)13-8)7-6-15-4-5-16-7/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyOCQTZNBAMQPTCT-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.49
Rot. Bonds3

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

4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine (PubChem CID 65356930) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine
PubChem CID65356930
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C10H16N4O2/c1-2-3-8-12-9(14-10(11)13-8)7-6-15-4-5-16-7/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyOCQTZNBAMQPTCT-UHFFFAOYSA-N
XLogP0.49
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine (CID 65356930) is 4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(C2COCCO2)n1.
What is the InChIKey of 4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is OCQTZNBAMQPTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-3-8-12-9(14-10(11)13-8)7-6-15-4-5-16-7/h7H,2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine?
4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 224.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 65356930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).