2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol

C12H21N3O2 — CID 66328418

IUPAC2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol
SMILESCCOc1cc(NC(CC)(CC)CO)ncn1
InChIInChI=1S/C12H21N3O2/c1-4-12(5-2,8-16)15-10-7-11(17-6-3)14-9-13-10/h7,9,16H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyLHFGBQAUBRKVET-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.84
Rot. Bonds7

About 2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol

2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol (PubChem CID 66328418) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol
PubChem CID66328418
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol
SMILESCCOc1cc(NC(CC)(CC)CO)ncn1
InChIInChI=1S/C12H21N3O2/c1-4-12(5-2,8-16)15-10-7-11(17-6-3)14-9-13-10/h7,9,16H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyLHFGBQAUBRKVET-UHFFFAOYSA-N
XLogP1.84
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol 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

6-(2-Methylpropoxy)pyrimidin-4-amine
CID 68058468
6-(3-methoxypropoxy)-N-propan-2-ylpyrimidin-4-amine
CID 172434840
6-Ethoxypyrimidin-4-amine
CID 45080513
N-(1,1-dimethyl-2-morpholin-4-ylethyl)-6-methoxypyrimidin-4-amine
CID 50953027
(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol
CID 99606776
2-((6-Aminopyrimidin-4-yl)oxy)ethanol
CID 18931069
6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 66329207
6-propan-2-yloxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 66329208
6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 66329209
2-[(6-Ethoxypyrimidin-4-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798114
3,3,3-Trifluoro-2-methyl-2-[(6-propoxypyrimidin-4-yl)amino]propanoic acid
CID 79798368
3,3,3-Trifluoro-2-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanoic acid
CID 79799172

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol (CID 66328418) is 2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol is CCOc1cc(NC(CC)(CC)CO)ncn1.
What is the InChIKey of 2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The InChIKey is LHFGBQAUBRKVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-12(5-2,8-16)15-10-7-11(17-6-3)14-9-13-10/h7,9,16H,4-6,8H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 66328418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).