2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol

C11H20N4O2 — CID 80825947

IUPAC2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCNc1nc(C)nc(NCCOCCO)c1C
InChIInChI=1S/C11H20N4O2/c1-8-10(12-3)14-9(2)15-11(8)13-4-6-17-7-5-16/h16H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyIATUORORMKDWDX-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.56
Rot. Bonds7

About 2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol

2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol (PubChem CID 80825947) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
PubChem CID80825947
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCNc1nc(C)nc(NCCOCCO)c1C
InChIInChI=1S/C11H20N4O2/c1-8-10(12-3)14-9(2)15-11(8)13-4-6-17-7-5-16/h16H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyIATUORORMKDWDX-UHFFFAOYSA-N
XLogP0.56
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 114129076
2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80985152
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 81006283
4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777376
2-[2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825941
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]ethanol
CID 80932442
2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241770
6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327702
2-[2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242021
4-N-[2-(2-methoxyethoxy)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80813103
6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818951
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152264

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol (CID 80825947) is 2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol is CNc1nc(C)nc(NCCOCCO)c1C.
What is the InChIKey of 2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
The InChIKey is IATUORORMKDWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8-10(12-3)14-9(2)15-11(8)13-4-6-17-7-5-16/h16H,4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol has a molecular weight of 240.31 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 80825947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).