2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol

C10H12ClN5O — CID 104697863

IUPAC2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol
SMILESOCCN(c1nc(Cl)nc2nc[nH]c12)C1CC1
InChIInChI=1S/C10H12ClN5O/c11-10-14-8-7(12-5-13-8)9(15-10)16(3-4-17)6-1-2-6/h5-6,17H,1-4H2,(H,12,13,14,15)
InChIKeyTVHYYHVMFWYDMK-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.97
Rot. Bonds4

About 2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol

2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol (PubChem CID 104697863) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol
PubChem CID104697863
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol
SMILESOCCN(c1nc(Cl)nc2nc[nH]c12)C1CC1
InChIInChI=1S/C10H12ClN5O/c11-10-14-8-7(12-5-13-8)9(15-10)16(3-4-17)6-1-2-6/h5-6,17H,1-4H2,(H,12,13,14,15)
InChIKeyTVHYYHVMFWYDMK-UHFFFAOYSA-N
XLogP0.97
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine
CID 113453078
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine
CID 104787270
1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol
CID 104697884
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine
CID 104787272
benzyl (2S,3R)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]-3-hydroxybutanoate
CID 46227856
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
2-[cyclopropyl-(3,5-dichloro-2-pyridinyl)amino]ethanol
CID 61146210
2-chloro-N-methyl-N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 104787415
2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
CID 104787368
2,6-dichloro-7H-purine
CID 10750289
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine
CID 104787282
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine
CID 105419869

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol?
The IUPAC name of 2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol (CID 104697863) is 2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol is OCCN(c1nc(Cl)nc2nc[nH]c12)C1CC1.
What is the InChIKey of 2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol?
The InChIKey is TVHYYHVMFWYDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c11-10-14-8-7(12-5-13-8)9(15-10)16(3-4-17)6-1-2-6/h5-6,17H,1-4H2,(H,12,13,14,15).
What are the key properties of 2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol?
2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol has a molecular weight of 253.69 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol is sourced from PubChem (CID 104697863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).