4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine

C12H20N4O — CID 113391772

IUPAC4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CC2CCCCO2)n1
InChIInChI=1S/C12H20N4O/c1-2-5-10-14-11(16-12(13)15-10)8-9-6-3-4-7-17-9/h9H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyBBEGNEDBWJMVIB-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.52
Rot. Bonds4

About 4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine

4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine (PubChem CID 113391772) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine
PubChem CID113391772
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CC2CCCCO2)n1
InChIInChI=1S/C12H20N4O/c1-2-5-10-14-11(16-12(13)15-10)8-9-6-3-4-7-17-9/h9H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyBBEGNEDBWJMVIB-UHFFFAOYSA-N
XLogP1.52
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(Oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63866982
4-Cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63867613
4-Tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868348
4-Ethyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868461
4-Methyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868708
4-(Oxolan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 63868726
4-Cyclohexyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868890
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

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine (CID 113391772) is 4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(CC2CCCCO2)n1.
What is the InChIKey of 4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is BBEGNEDBWJMVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-5-10-14-11(16-12(13)15-10)8-9-6-3-4-7-17-9/h9H,2-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine?
4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 113391772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).