2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol

C11H20N4O — CID 80791912

IUPAC2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(N)c1C(C)C
InChIInChI=1S/C11H20N4O/c1-4-15(5-6-16)11-9(8(2)3)10(12)13-7-14-11/h7-8,16H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyKHIFXJMNWXGWBA-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.00
Rot. Bonds5

About 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol

2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol (PubChem CID 80791912) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
PubChem CID80791912
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(N)c1C(C)C
InChIInChI=1S/C11H20N4O/c1-4-15(5-6-16)11-9(8(2)3)10(12)13-7-14-11/h7-8,16H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyKHIFXJMNWXGWBA-UHFFFAOYSA-N
XLogP1.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495177
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80899078
1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848620
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557069
4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80816434
2-[(5-amino-6-hydrazinylpyrimidin-4-yl)-ethylamino]ethanol
CID 19141155
4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796579
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80829909
2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19135193
3-[[5-amino-6-[ethyl(2-hydroxyethyl)amino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141084
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80811308

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol (CID 80791912) is 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol is CCN(CCO)c1ncnc(N)c1C(C)C.
What is the InChIKey of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol?
The InChIKey is KHIFXJMNWXGWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-15(5-6-16)11-9(8(2)3)10(12)13-7-14-11/h7-8,16H,4-6H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol?
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol has a molecular weight of 224.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol is sourced from PubChem (CID 80791912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).