[4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol

C11H14ClN5O2 — CID 104697888

IUPAC[4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H14ClN5O2/c1-6-4-19-7(3-18)2-17(6)10-8-9(14-5-13-8)15-11(12)16-10/h5-7,18H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyMMKQXGWMSBLBFS-UHFFFAOYSA-N
MW283.72 g/mol
LogP0.59
Rot. Bonds2

About [4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol

[4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol (PubChem CID 104697888) has the molecular formula C11H14ClN5O2 and a molecular weight of 283.72 g/mol. Its IUPAC name is [4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol
PubChem CID104697888
Molecular FormulaC11H14ClN5O2
Molecular Weight283.72 g/mol
Exact Mass283.08
IUPAC Name[4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H14ClN5O2/c1-6-4-19-7(3-18)2-17(6)10-8-9(14-5-13-8)15-11(12)16-10/h5-7,18H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyMMKQXGWMSBLBFS-UHFFFAOYSA-N
XLogP0.59
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol
CID 114785743
2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine
CID 104787123
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323
[4-(6-chloro-5-ethylpyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
CID 81208550
[4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol
CID 81208068
[4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
CID 81216804
[4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol
CID 81197727
8-(2-chloro-7H-purin-6-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 59605463
2-chloro-6-[(2S,5R)-4-[1-(4-fluorophenyl)-2-methylpropyl]-2,5-dimethylpiperazin-1-yl]-7H-purine
CID 170433217
2-chloro-N-methyl-7H-purin-6-amine;(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol
CID 87322060
(3S)-4-(2-chloro-7H-purin-6-yl)-3-methylmorpholine;(3S)-4-[2-chloro-9-(2,2,2-trifluoroethyl)purin-6-yl]-3-methylmorpholine
CID 157148736
5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 81439891

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol (CID 104697888) is [4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1c1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of [4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is MMKQXGWMSBLBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2/c1-6-4-19-7(3-18)2-17(6)10-8-9(14-5-13-8)15-11(12)16-10/h5-7,18H,2-4H2,1H3,(H,13,14,15,16).
What are the key properties of [4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol?
[4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 283.72 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-7H-purin-6-yl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 104697888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).