2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol

C17H19F3N6O — CID 151552270

IUPAC2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol
SMILESCCn1c(NCc2ccc(C(F)(F)F)cc2)nc2cnc(NCCO)nc21
InChIInChI=1S/C17H19F3N6O/c1-2-26-14-13(10-22-15(25-14)21-7-8-27)24-16(26)23-9-11-3-5-12(6-4-11)17(18,19)20/h3-6,10,27H,2,7-9H2,1H3,(H,23,24)(H,21,22,25)
InChIKeyQASWUJIOKHOKDR-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.88
Rot. Bonds7

About 2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol

2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol (PubChem CID 151552270) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol
PubChem CID151552270
Molecular FormulaC17H19F3N6O
Molecular Weight380.37 g/mol
Exact Mass380.16
IUPAC Name2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol
SMILESCCn1c(NCc2ccc(C(F)(F)F)cc2)nc2cnc(NCCO)nc21
InChIInChI=1S/C17H19F3N6O/c1-2-26-14-13(10-22-15(25-14)21-7-8-27)24-16(26)23-9-11-3-5-12(6-4-11)17(18,19)20/h3-6,10,27H,2,7-9H2,1H3,(H,23,24)(H,21,22,25)
InChIKeyQASWUJIOKHOKDR-UHFFFAOYSA-N
XLogP2.88
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol with MolForge

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Related Compounds

2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol
CID 175383389
2-[(9-ethylpurin-2-yl)amino]ethanol
CID 126594159
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577
5-bromo-2-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80806527
9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine
CID 24745489
2-[[2-anilino-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]ethanol
CID 117082595
5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine
CID 66281298
N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide
CID 25093843
5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 5140918
3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 62881850
3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 60699153
5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 3999347

Frequently Asked Questions

What is the IUPAC name of 2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol?
The IUPAC name of 2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol (CID 151552270) is 2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol is CCn1c(NCc2ccc(C(F)(F)F)cc2)nc2cnc(NCCO)nc21.
What is the InChIKey of 2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol?
The InChIKey is QASWUJIOKHOKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O/c1-2-26-14-13(10-22-15(25-14)21-7-8-27)24-16(26)23-9-11-3-5-12(6-4-11)17(18,19)20/h3-6,10,27H,2,7-9H2,1H3,(H,23,24)(H,21,22,25).
What are the key properties of 2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol?
2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol has a molecular weight of 380.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol is sourced from PubChem (CID 151552270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).