2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol

C13H19N5O2 — CID 166810736

IUPAC2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol
SMILESCc1ncc2nc(NCCO)n(C3CCOCC3)c2n1
InChIInChI=1S/C13H19N5O2/c1-9-15-8-11-12(16-9)18(10-2-6-20-7-3-10)13(17-11)14-4-5-19/h8,10,19H,2-7H2,1H3,(H,14,17)
InChIKeyDDFPCBFWYRCWQC-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.89
Rot. Bonds4

About 2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol

2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol (PubChem CID 166810736) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol
PubChem CID166810736
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol
SMILESCc1ncc2nc(NCCO)n(C3CCOCC3)c2n1
InChIInChI=1S/C13H19N5O2/c1-9-15-8-11-12(16-9)18(10-2-6-20-7-3-10)13(17-11)14-4-5-19/h8,10,19H,2-7H2,1H3,(H,14,17)
InChIKeyDDFPCBFWYRCWQC-UHFFFAOYSA-N
XLogP0.89
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 175812147
N-(2-fluorophenyl)-2-(methylideneamino)-9-(oxan-4-yl)purin-8-amine
CID 123330394
ethane;9-(oxan-4-yl)-2-N-phenyl-8-N-(2,4,6-trifluorophenyl)purine-2,8-diamine
CID 168982679
2-[(4-aminocyclohexyl)methyl]-N-(2-fluorophenyl)-9-(oxan-4-yl)purin-8-amine
CID 148812916
4-[8-(2,3-difluoro-4-methylanilino)-2-(oxan-4-ylamino)purin-9-yl]cyclohexane-1-carboxamide
CID 121253662
N-[4-[[8-(2,6-difluoroanilino)-9-(oxan-4-yl)purin-2-yl]amino]cyclohexyl]methanesulfinamide
CID 143262171
4-[[8-(2,4-difluoroanilino)-9-(oxan-4-yl)purin-2-yl]amino]phenol
CID 59383919
methane;2-[4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexyl]propan-2-ol
CID 157087166
ethyl 1-methyl-4-[2-(oxan-4-ylamino)-8-(2,4,6-trifluoroanilino)purin-9-yl]cyclohexane-1-carboxylate
CID 126569389
4-[8-(2-chloro-6-methylanilino)-2-(oxan-4-ylamino)purin-9-yl]cyclohexane-1-carboxamide
CID 121254379
4-[2-(oxan-4-ylamino)-8-(2,4,6-trichloroanilino)purin-9-yl]cyclohexane-1-carboxamide
CID 121253880
6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79300760

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol?
The IUPAC name of 2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol (CID 166810736) is 2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol?
The canonical SMILES for 2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol is Cc1ncc2nc(NCCO)n(C3CCOCC3)c2n1.
What is the InChIKey of 2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol?
The InChIKey is DDFPCBFWYRCWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-15-8-11-12(16-9)18(10-2-6-20-7-3-10)13(17-11)14-4-5-19/h8,10,19H,2-7H2,1H3,(H,14,17).
What are the key properties of 2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol?
2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol has a molecular weight of 277.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol is sourced from PubChem (CID 166810736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).