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

C11H21N5O — CID 99583724

IUPAC(2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(C)c1nc(NC[C@@H](C)O)nc(N(C)C)n1
InChIInChI=1S/C11H21N5O/c1-7(2)9-13-10(12-6-8(3)17)15-11(14-9)16(4)5/h7-8,17H,6H2,1-5H3,(H,12,13,14,15)/t8-/m1/s1
InChIKeyWARSXLXWCLXSFI-MRVPVSSYSA-N
MW239.32 g/mol
LogP0.85
Rot. Bonds5

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

(2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol (PubChem CID 99583724) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is (2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
PubChem CID99583724
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name(2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(C)c1nc(NC[C@@H](C)O)nc(N(C)C)n1
InChIInChI=1S/C11H21N5O/c1-7(2)9-13-10(12-6-8(3)17)15-11(14-9)16(4)5/h7-8,17H,6H2,1-5H3,(H,12,13,14,15)/t8-/m1/s1
InChIKeyWARSXLXWCLXSFI-MRVPVSSYSA-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

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

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Launch Full Analysis

Related Compounds

2-Propanol, 1-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-
CID 3080120
2-Propanol, 1-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, (S)-
CID 3080129
2-Propanol, 1-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, (R)-
CID 3080130
1,3,5-Triazin-2-amine, N,4-diethyl-6-(1-methylethoxy)-
CID 3044741
Ethanol, 2,2'-((4-(cyclopropyl-6-(cyclorpopylamino)-1,3,5-triazin-2-yl)imino)bis-
CID 3073368
3-Azetidinol, 1-(4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl)-
CID 3073369
3-Azetidinol, 1-(4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl)-
CID 3073371
2-Butanol, 1-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-
CID 3080121
2-[[4-(2-Hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol
CID 22225
2-[[4-(Cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 3073351
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-hydroxypropyl)bromomercury
CID 11971880
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-hydroxypropyl)chloromercury
CID 11971881

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol (CID 99583724) is (2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol is CC(C)c1nc(NC[C@@H](C)O)nc(N(C)C)n1.
What is the InChIKey of (2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol?
The InChIKey is WARSXLXWCLXSFI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-7(2)9-13-10(12-6-8(3)17)15-11(14-9)16(4)5/h7-8,17H,6H2,1-5H3,(H,12,13,14,15)/t8-/m1/s1.
What are the key properties of (2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol?
(2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-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 (2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 99583724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).