2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol

C11H16ClN5O — CID 82460403

IUPAC2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol
SMILESCCC(C)n1cnc2nc(Cl)nc(NCCO)c21
InChIInChI=1S/C11H16ClN5O/c1-3-7(2)17-6-14-10-8(17)9(13-4-5-18)15-11(12)16-10/h6-7,18H,3-5H2,1-2H3,(H,13,15,16)
InChIKeyXYXFNOHYUYGDBR-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.85
Rot. Bonds5

About 2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol

2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol (PubChem CID 82460403) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol
PubChem CID82460403
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol
SMILESCCC(C)n1cnc2nc(Cl)nc(NCCO)c21
InChIInChI=1S/C11H16ClN5O/c1-3-7(2)17-6-14-10-8(17)9(13-4-5-18)15-11(12)16-10/h6-7,18H,3-5H2,1-2H3,(H,13,15,16)
InChIKeyXYXFNOHYUYGDBR-UHFFFAOYSA-N
XLogP1.85
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-butan-2-yl-2-chloro-N-ethylpurin-6-amine
CID 82460383
2-chloro-N-pentyl-7-propan-2-ylpurin-6-amine
CID 82460304
N-benzyl-2-chloro-7-propan-2-ylpurin-6-amine
CID 82460318
3-[(2-chloro-7-cyclopentylpurin-6-yl)amino]propan-1-ol
CID 82460488
N-(2-chloro-7-ethylpurin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82460256
2-chloro-N,7-bis(2-methylpropyl)purin-6-amine
CID 82460374
2-chloro-7-cyclopentyl-N-pentylpurin-6-amine
CID 82460484
2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol
CID 82460380
2-chloro-7-cyclopentyl-N-ethylpurin-6-amine
CID 82460473
2-chloro-7-methyl-N-(4-pyrrolidin-1-ylbutyl)purin-6-amine
CID 82460201
2-chloro-7-cyclopentyl-N-(3-methoxypropyl)purin-6-amine
CID 82460490
2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 169119169

Frequently Asked Questions

What is the IUPAC name of 2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol?
The IUPAC name of 2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol (CID 82460403) is 2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol.
What is the SMILES notation for 2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol?
The canonical SMILES for 2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol is CCC(C)n1cnc2nc(Cl)nc(NCCO)c21.
What is the InChIKey of 2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol?
The InChIKey is XYXFNOHYUYGDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-3-7(2)17-6-14-10-8(17)9(13-4-5-18)15-11(12)16-10/h6-7,18H,3-5H2,1-2H3,(H,13,15,16).
What are the key properties of 2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol?
2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol has a molecular weight of 269.74 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol is sourced from PubChem (CID 82460403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).