4-N-butyl-5-ethoxypyrimidine-2,4-diamine

C10H18N4O — CID 70856441

IUPAC4-N-butyl-5-ethoxypyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCC
InChIInChI=1S/C10H18N4O/c1-3-5-6-12-9-8(15-4-2)7-13-10(11)14-9/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyBLTKEAHZDHOYST-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.67
Rot. Bonds6

About 4-N-butyl-5-ethoxypyrimidine-2,4-diamine

4-N-butyl-5-ethoxypyrimidine-2,4-diamine (PubChem CID 70856441) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-N-butyl-5-ethoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-ethoxypyrimidine-2,4-diamine
PubChem CID70856441
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-N-butyl-5-ethoxypyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCC
InChIInChI=1S/C10H18N4O/c1-3-5-6-12-9-8(15-4-2)7-13-10(11)14-9/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyBLTKEAHZDHOYST-UHFFFAOYSA-N
XLogP1.67
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
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 4-N-butyl-5-ethoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-ethoxypyrimidine-2,4-diamine (CID 70856441) is 4-N-butyl-5-ethoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-ethoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-ethoxypyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1OCC.
What is the InChIKey of 4-N-butyl-5-ethoxypyrimidine-2,4-diamine?
The InChIKey is BLTKEAHZDHOYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-5-6-12-9-8(15-4-2)7-13-10(11)14-9/h7H,3-6H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-N-butyl-5-ethoxypyrimidine-2,4-diamine?
4-N-butyl-5-ethoxypyrimidine-2,4-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-ethoxypyrimidine-2,4-diamine is sourced from PubChem (CID 70856441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).