4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine

C9H14N4O2 — CID 118167358

IUPAC4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine
SMILESC=CCOc1nc(N)nc(OCC)c1N
InChIInChI=1S/C9H14N4O2/c1-3-5-15-8-6(10)7(14-4-2)12-9(11)13-8/h3H,1,4-5,10H2,2H3,(H2,11,12,13)
InChIKeyKSDYWWKZXGBJCA-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.60
Rot. Bonds5

About 4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine

4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine (PubChem CID 118167358) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine
PubChem CID118167358
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine
SMILESC=CCOc1nc(N)nc(OCC)c1N
InChIInChI=1S/C9H14N4O2/c1-3-5-15-8-6(10)7(14-4-2)12-9(11)13-8/h3H,1,4-5,10H2,2H3,(H2,11,12,13)
InChIKeyKSDYWWKZXGBJCA-UHFFFAOYSA-N
XLogP0.60
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine?
The IUPAC name of 4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine (CID 118167358) is 4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine.
What is the SMILES notation for 4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine?
The canonical SMILES for 4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine is C=CCOc1nc(N)nc(OCC)c1N.
What is the InChIKey of 4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine?
The InChIKey is KSDYWWKZXGBJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-5-15-8-6(10)7(14-4-2)12-9(11)13-8/h3H,1,4-5,10H2,2H3,(H2,11,12,13).
What are the key properties of 4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine?
4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine has a molecular weight of 210.24 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine is sourced from PubChem (CID 118167358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).