1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol

C10H14ClN5O — CID 104697884

IUPAC1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C10H14ClN5O/c1-10(2,17)4-16(3)8-6-7(13-5-12-6)14-9(11)15-8/h5,17H,4H2,1-3H3,(H,12,13,14,15)
InChIKeyRDRFMCDCBPUFSA-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.21
Rot. Bonds3

About 1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol

1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 104697884) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID104697884
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C10H14ClN5O/c1-10(2,17)4-16(3)8-6-7(13-5-12-6)14-9(11)15-8/h5,17H,4H2,1-3H3,(H,12,13,14,15)
InChIKeyRDRFMCDCBPUFSA-UHFFFAOYSA-N
XLogP1.21
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
CID 104787368
2-chloro-N-methyl-N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 104787415
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine
CID 105419869
2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine
CID 113453067
2-chloro-N-methyl-N-(3-methylbutan-2-yl)-7H-purin-6-amine
CID 104787169
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114784841
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine
CID 104787282
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine
CID 104787295
2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
CID 104787232
1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol
CID 104623697
2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol
CID 104697863

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol (CID 104697884) is 1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is RDRFMCDCBPUFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c1-10(2,17)4-16(3)8-6-7(13-5-12-6)14-9(11)15-8/h5,17H,4H2,1-3H3,(H,12,13,14,15).
What are the key properties of 1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol?
1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 255.71 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 104697884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).