2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol

C13H22F2N4O — CID 107495178

IUPAC2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol
SMILESCCCc1c(NCC)ncnc1N(CCO)CC(F)F
InChIInChI=1S/C13H22F2N4O/c1-3-5-10-12(16-4-2)17-9-18-13(10)19(6-7-20)8-11(14)15/h9,11,20H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyCFXLNJMVSPNXOI-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.92
Rot. Bonds9

About 2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol

2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol (PubChem CID 107495178) has the molecular formula C13H22F2N4O and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol
PubChem CID107495178
Molecular FormulaC13H22F2N4O
Molecular Weight288.34 g/mol
Exact Mass288.18
IUPAC Name2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol
SMILESCCCc1c(NCC)ncnc1N(CCO)CC(F)F
InChIInChI=1S/C13H22F2N4O/c1-3-5-10-12(16-4-2)17-9-18-13(10)19(6-7-20)8-11(14)15/h9,11,20H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyCFXLNJMVSPNXOI-UHFFFAOYSA-N
XLogP1.92
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]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

6-N-ethyl-4-N,4-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80765941
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 114072039
2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19135193
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine
CID 80834161
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80775365
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
CID 80771706
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495177
3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80788107
2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol
CID 114203332
3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile
CID 80829044

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol (CID 107495178) is 2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol is CCCc1c(NCC)ncnc1N(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol?
The InChIKey is CFXLNJMVSPNXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4O/c1-3-5-10-12(16-4-2)17-9-18-13(10)19(6-7-20)8-11(14)15/h9,11,20H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol?
2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol has a molecular weight of 288.34 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 107495178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).