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

C12H20N4O — CID 80680640

IUPAC4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(C2(C)CCCCO2)n1
InChIInChI=1S/C12H20N4O/c1-3-6-9-14-10(16-11(13)15-9)12(2)7-4-5-8-17-12/h3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyKFLKTISGWPIVOM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.82
Rot. Bonds3

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

4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine (PubChem CID 80680640) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine
PubChem CID80680640
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(C2(C)CCCCO2)n1
InChIInChI=1S/C12H20N4O/c1-3-6-9-14-10(16-11(13)15-9)12(2)7-4-5-8-17-12/h3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyKFLKTISGWPIVOM-UHFFFAOYSA-N
XLogP1.82
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine (CID 80680640) is 4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(C2(C)CCCCO2)n1.
What is the InChIKey of 4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is KFLKTISGWPIVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-6-9-14-10(16-11(13)15-9)12(2)7-4-5-8-17-12/h3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine?
4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80680640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).