6-ethoxy-4-N-pentylpyrimidine-2,4-diamine

C11H20N4O — CID 91405018

IUPAC6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(OCC)nc(N)n1
InChIInChI=1S/C11H20N4O/c1-3-5-6-7-13-9-8-10(16-4-2)15-11(12)14-9/h8H,3-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyYGSXATLBZKZUFZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.06
Rot. Bonds7

About 6-ethoxy-4-N-pentylpyrimidine-2,4-diamine

6-ethoxy-4-N-pentylpyrimidine-2,4-diamine (PubChem CID 91405018) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 6-ethoxy-4-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
PubChem CID91405018
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(OCC)nc(N)n1
InChIInChI=1S/C11H20N4O/c1-3-5-6-7-13-9-8-10(16-4-2)15-11(12)14-9/h8H,3-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyYGSXATLBZKZUFZ-UHFFFAOYSA-N
XLogP2.06
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.06
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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Related Compounds

6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772
6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82458025
4-heptoxy-6-hydrazinylpyrimidin-2-amine
CID 80909546
6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine
CID 82010674

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-pentylpyrimidine-2,4-diamine (CID 91405018) is 6-ethoxy-4-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-pentylpyrimidine-2,4-diamine is CCCCCNc1cc(OCC)nc(N)n1.
What is the InChIKey of 6-ethoxy-4-N-pentylpyrimidine-2,4-diamine?
The InChIKey is YGSXATLBZKZUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-5-6-7-13-9-8-10(16-4-2)15-11(12)14-9/h8H,3-7H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 6-ethoxy-4-N-pentylpyrimidine-2,4-diamine?
6-ethoxy-4-N-pentylpyrimidine-2,4-diamine has a molecular weight of 224.31 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 91405018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).