1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol

C6H7Cl2N3O — CID 86598347

IUPAC1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol
SMILESCC(O)c1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C6H7Cl2N3O/c1-2(12)3-4(7)10-6(9)11-5(3)8/h2,12H,1H3,(H2,9,10,11)
InChIKeyYHLUIIMBIWJEFP-UHFFFAOYSA-N
MW208.05 g/mol
LogP1.42
Rot. Bonds1

About 1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol

1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol (PubChem CID 86598347) has the molecular formula C6H7Cl2N3O and a molecular weight of 208.05 g/mol. Its IUPAC name is 1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol
PubChem CID86598347
Molecular FormulaC6H7Cl2N3O
Molecular Weight208.05 g/mol
Exact Mass207.00
IUPAC Name1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol
SMILESCC(O)c1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C6H7Cl2N3O/c1-2(12)3-4(7)10-6(9)11-5(3)8/h2,12H,1H3,(H2,9,10,11)
InChIKeyYHLUIIMBIWJEFP-UHFFFAOYSA-N
XLogP1.42
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol?
The IUPAC name of 1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol (CID 86598347) is 1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol.
What is the SMILES notation for 1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol?
The canonical SMILES for 1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol is CC(O)c1c(Cl)nc(N)nc1Cl.
What is the InChIKey of 1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol?
The InChIKey is YHLUIIMBIWJEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3O/c1-2(12)3-4(7)10-6(9)11-5(3)8/h2,12H,1H3,(H2,9,10,11).
What are the key properties of 1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol?
1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol has a molecular weight of 208.05 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-dichloropyrimidin-5-yl)ethanol is sourced from PubChem (CID 86598347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).