5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile

C9H13N5O — CID 134124654

IUPAC5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile
SMILESN#CCCCCOc1cnc(N)nc1N
InChIInChI=1S/C9H13N5O/c10-4-2-1-3-5-15-7-6-13-9(12)14-8(7)11/h6H,1-3,5H2,(H4,11,12,13,14)
InChIKeyLZEHUPDVYSJRJV-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.71
Rot. Bonds5

About 5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile

5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile (PubChem CID 134124654) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile.

Molecular Properties

Compound Name5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile
PubChem CID134124654
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile
SMILESN#CCCCCOc1cnc(N)nc1N
InChIInChI=1S/C9H13N5O/c10-4-2-1-3-5-15-7-6-13-9(12)14-8(7)11/h6H,1-3,5H2,(H4,11,12,13,14)
InChIKeyLZEHUPDVYSJRJV-UHFFFAOYSA-N
XLogP0.71
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile?
The IUPAC name of 5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile (CID 134124654) is 5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile.
What is the SMILES notation for 5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile?
The canonical SMILES for 5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile is N#CCCCCOc1cnc(N)nc1N.
What is the InChIKey of 5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile?
The InChIKey is LZEHUPDVYSJRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c10-4-2-1-3-5-15-7-6-13-9(12)14-8(7)11/h6H,1-3,5H2,(H4,11,12,13,14).
What are the key properties of 5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile?
5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile has a molecular weight of 207.24 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-diaminopyrimidin-5-yl)oxypentanenitrile is sourced from PubChem (CID 134124654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).