2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol

C8H14N4O3 — CID 70987557

IUPAC2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol
SMILESCOc1nc(NCCO)nc(OC)c1N
InChIInChI=1S/C8H14N4O3/c1-14-6-5(9)7(15-2)12-8(11-6)10-3-4-13/h13H,3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyVZOJRGUKDDCEHA-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.52
Rot. Bonds5

About 2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol

2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol (PubChem CID 70987557) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol
PubChem CID70987557
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol
SMILESCOc1nc(NCCO)nc(OC)c1N
InChIInChI=1S/C8H14N4O3/c1-14-6-5(9)7(15-2)12-8(11-6)10-3-4-13/h13H,3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyVZOJRGUKDDCEHA-UHFFFAOYSA-N
XLogP-0.52
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol?
The IUPAC name of 2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol (CID 70987557) is 2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol is COc1nc(NCCO)nc(OC)c1N.
What is the InChIKey of 2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol?
The InChIKey is VZOJRGUKDDCEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-14-6-5(9)7(15-2)12-8(11-6)10-3-4-13/h13H,3-4,9H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol?
2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol has a molecular weight of 214.22 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 70987557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).