[6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol

C10H18N6O2 — CID 167109578

IUPAC[6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol
SMILESNC1N=CNC2=C1NCN2C1CNCC(CO)O1
InChIInChI=1S/C10H18N6O2/c11-9-8-10(14-4-13-9)16(5-15-8)7-2-12-1-6(3-17)18-7/h4,6-7,9,12,15,17H,1-3,5,11H2,(H,13,14)
InChIKeyKHWYMXAUBSDDDF-UHFFFAOYSA-N
MW254.29 g/mol
LogP-2.76
Rot. Bonds2

About [6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol

[6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol (PubChem CID 167109578) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is [6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol
PubChem CID167109578
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name[6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol
SMILESNC1N=CNC2=C1NCN2C1CNCC(CO)O1
InChIInChI=1S/C10H18N6O2/c11-9-8-10(14-4-13-9)16(5-15-8)7-2-12-1-6(3-17)18-7/h4,6-7,9,12,15,17H,1-3,5,11H2,(H,13,14)
InChIKeyKHWYMXAUBSDDDF-UHFFFAOYSA-N
XLogP-2.76
TPSA107.17 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-2.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol?
The IUPAC name of [6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol (CID 167109578) is [6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol?
The canonical SMILES for [6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol is NC1N=CNC2=C1NCN2C1CNCC(CO)O1.
What is the InChIKey of [6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol?
The InChIKey is KHWYMXAUBSDDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c11-9-8-10(14-4-13-9)16(5-15-8)7-2-12-1-6(3-17)18-7/h4,6-7,9,12,15,17H,1-3,5,11H2,(H,13,14).
What are the key properties of [6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol?
[6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol has a molecular weight of 254.29 g/mol, XLogP of -2.76, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 167109578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).