5-butoxy-4-ethoxypyrimidin-2-amine

C10H17N3O2 — CID 45094256

IUPAC5-butoxy-4-ethoxypyrimidin-2-amine
SMILESCCCCOc1cnc(N)nc1OCC
InChIInChI=1S/C10H17N3O2/c1-3-5-6-15-8-7-12-10(11)13-9(8)14-4-2/h7H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyORONXSSMYKMNFS-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.64
Rot. Bonds6

About 5-butoxy-4-ethoxypyrimidin-2-amine

5-butoxy-4-ethoxypyrimidin-2-amine (PubChem CID 45094256) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-butoxy-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-butoxy-4-ethoxypyrimidin-2-amine
PubChem CID45094256
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-butoxy-4-ethoxypyrimidin-2-amine
SMILESCCCCOc1cnc(N)nc1OCC
InChIInChI=1S/C10H17N3O2/c1-3-5-6-15-8-7-12-10(11)13-9(8)14-4-2/h7H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyORONXSSMYKMNFS-UHFFFAOYSA-N
XLogP1.64
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butoxy-4-ethoxypyrimidin-2-amine?
The IUPAC name of 5-butoxy-4-ethoxypyrimidin-2-amine (CID 45094256) is 5-butoxy-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for 5-butoxy-4-ethoxypyrimidin-2-amine?
The canonical SMILES for 5-butoxy-4-ethoxypyrimidin-2-amine is CCCCOc1cnc(N)nc1OCC.
What is the InChIKey of 5-butoxy-4-ethoxypyrimidin-2-amine?
The InChIKey is ORONXSSMYKMNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-6-15-8-7-12-10(11)13-9(8)14-4-2/h7H,3-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-butoxy-4-ethoxypyrimidin-2-amine?
5-butoxy-4-ethoxypyrimidin-2-amine has a molecular weight of 211.26 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 45094256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).