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

C11H18F2N4O — CID 107495177

IUPAC2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)c1c(N)ncnc1N(CCO)CC(F)F
InChIInChI=1S/C11H18F2N4O/c1-7(2)9-10(14)15-6-16-11(9)17(3-4-18)5-8(12)13/h6-8,18H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyJRNHIEHUNHLOKQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.25
Rot. Bonds6

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

2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107495177) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107495177
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)c1c(N)ncnc1N(CCO)CC(F)F
InChIInChI=1S/C11H18F2N4O/c1-7(2)9-10(14)15-6-16-11(9)17(3-4-18)5-8(12)13/h6-8,18H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyJRNHIEHUNHLOKQ-UHFFFAOYSA-N
XLogP1.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)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

2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796579
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
1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848620
2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478248
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80899078
4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847885
2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol
CID 114203332
2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol
CID 107495178
2-[(5-aminopyrazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495031

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107495177) is 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol is CC(C)c1c(N)ncnc1N(CCO)CC(F)F.
What is the InChIKey of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is JRNHIEHUNHLOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c1-7(2)9-10(14)15-6-16-11(9)17(3-4-18)5-8(12)13/h6-8,18H,3-5H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 260.29 g/mol, XLogP of 1.25, 6 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)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107495177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).