1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol

C11H20N4O — CID 104594461

IUPAC1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol
SMILESCc1cc(C)nc(NCCNCC(C)O)n1
InChIInChI=1S/C11H20N4O/c1-8-6-9(2)15-11(14-8)13-5-4-12-7-10(3)16/h6,10,12,16H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyWMYODKOQPITGIE-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.48
Rot. Bonds6

About 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol

1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol (PubChem CID 104594461) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol
PubChem CID104594461
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol
SMILESCc1cc(C)nc(NCCNCC(C)O)n1
InChIInChI=1S/C11H20N4O/c1-8-6-9(2)15-11(14-8)13-5-4-12-7-10(3)16/h6,10,12,16H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyWMYODKOQPITGIE-UHFFFAOYSA-N
XLogP0.48
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594186
N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 102536542
1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol
CID 104594292
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 61362808
1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol
CID 113430529
3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol
CID 103858194
N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 102536498
1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol
CID 113430486
4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine
CID 78966867
4,6-dimethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 62694170
4,6-dimethyl-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115774265

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol (CID 104594461) is 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol is Cc1cc(C)nc(NCCNCC(C)O)n1.
What is the InChIKey of 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol?
The InChIKey is WMYODKOQPITGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-6-9(2)15-11(14-8)13-5-4-12-7-10(3)16/h6,10,12,16H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol?
1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol has a molecular weight of 224.31 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 104594461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).