5-chloro-4-ethoxypyrimidin-2-amine

C6H8ClN3O — CID 80859283

IUPAC5-chloro-4-ethoxypyrimidin-2-amine
SMILESCCOc1nc(N)ncc1Cl
InChIInChI=1S/C6H8ClN3O/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyFMCOUBQYHYJSMO-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.11
Rot. Bonds2

About 5-chloro-4-ethoxypyrimidin-2-amine

5-chloro-4-ethoxypyrimidin-2-amine (PubChem CID 80859283) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 5-chloro-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-ethoxypyrimidin-2-amine
PubChem CID80859283
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name5-chloro-4-ethoxypyrimidin-2-amine
SMILESCCOc1nc(N)ncc1Cl
InChIInChI=1S/C6H8ClN3O/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyFMCOUBQYHYJSMO-UHFFFAOYSA-N
XLogP1.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethoxypyrimidin-2-amine?
The IUPAC name of 5-chloro-4-ethoxypyrimidin-2-amine (CID 80859283) is 5-chloro-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-ethoxypyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-ethoxypyrimidin-2-amine is CCOc1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-ethoxypyrimidin-2-amine?
The InChIKey is FMCOUBQYHYJSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-2-11-5-4(7)3-9-6(8)10-5/h3H,2H2,1H3,(H2,8,9,10).
What are the key properties of 5-chloro-4-ethoxypyrimidin-2-amine?
5-chloro-4-ethoxypyrimidin-2-amine has a molecular weight of 173.60 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 80859283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).