2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol

C11H21N5O — CID 133433458

IUPAC2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(C(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H21N5O/c1-7(2)9-13-10(12-8(3)6-17)15-11(14-9)16(4)5/h7-8,17H,6H2,1-5H3,(H,12,13,14,15)
InChIKeyLGEQRUZVCFWKDH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.85
Rot. Bonds5

About 2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol

2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 133433458) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID133433458
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(C(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H21N5O/c1-7(2)9-13-10(12-8(3)6-17)15-11(14-9)16(4)5/h7-8,17H,6H2,1-5H3,(H,12,13,14,15)
InChIKeyLGEQRUZVCFWKDH-UHFFFAOYSA-N
XLogP0.85
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 133433458) is 2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol is CC(CO)Nc1nc(C(C)C)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is LGEQRUZVCFWKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-7(2)9-13-10(12-8(3)6-17)15-11(14-9)16(4)5/h7-8,17H,6H2,1-5H3,(H,12,13,14,15).
What are the key properties of 2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol?
2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 133433458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).