3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol

C11H21N5O2 — CID 80867459

IUPAC3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
SMILESCCN(CC)c1nc(NC)nc(OCCCO)n1
InChIInChI=1S/C11H21N5O2/c1-4-16(5-2)10-13-9(12-3)14-11(15-10)18-8-6-7-17/h17H,4-8H2,1-3H3,(H,12,13,14,15)
InChIKeyYXVHMDBAOCOBDY-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.52
Rot. Bonds8

About 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol

3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol (PubChem CID 80867459) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
PubChem CID80867459
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
SMILESCCN(CC)c1nc(NC)nc(OCCCO)n1
InChIInChI=1S/C11H21N5O2/c1-4-16(5-2)10-13-9(12-3)14-11(15-10)18-8-6-7-17/h17H,4-8H2,1-3H3,(H,12,13,14,15)
InChIKeyYXVHMDBAOCOBDY-UHFFFAOYSA-N
XLogP0.52
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80785605
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80871928
2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol
CID 107495210
2-N,2-N-diethyl-4-N-methyl-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
CID 80862256
3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867642
2-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80809168
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890395
6-ethoxy-2-N,2-N-bis(2-methoxyethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80795238
3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80865821
6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80866060
2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80866080

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol?
The IUPAC name of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol (CID 80867459) is 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol?
The canonical SMILES for 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol is CCN(CC)c1nc(NC)nc(OCCCO)n1.
What is the InChIKey of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol?
The InChIKey is YXVHMDBAOCOBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-16(5-2)10-13-9(12-3)14-11(15-10)18-8-6-7-17/h17H,4-8H2,1-3H3,(H,12,13,14,15).
What are the key properties of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol?
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol is sourced from PubChem (CID 80867459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).