2-butoxy-5-fluoropyrimidin-4-amine

C8H12FN3O — CID 89165285

IUPAC2-butoxy-5-fluoropyrimidin-4-amine
SMILESCCCCOc1ncc(F)c(N)n1
InChIInChI=1S/C8H12FN3O/c1-2-3-4-13-8-11-5-6(9)7(10)12-8/h5H,2-4H2,1H3,(H2,10,11,12)
InChIKeyNYNMEPOEFRAUDL-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.38
Rot. Bonds4

About 2-butoxy-5-fluoropyrimidin-4-amine

2-butoxy-5-fluoropyrimidin-4-amine (PubChem CID 89165285) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-butoxy-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-butoxy-5-fluoropyrimidin-4-amine
PubChem CID89165285
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-butoxy-5-fluoropyrimidin-4-amine
SMILESCCCCOc1ncc(F)c(N)n1
InChIInChI=1S/C8H12FN3O/c1-2-3-4-13-8-11-5-6(9)7(10)12-8/h5H,2-4H2,1H3,(H2,10,11,12)
InChIKeyNYNMEPOEFRAUDL-UHFFFAOYSA-N
XLogP1.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-butoxy-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-butoxy-5-fluoropyrimidin-4-amine (CID 89165285) is 2-butoxy-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-butoxy-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-butoxy-5-fluoropyrimidin-4-amine is CCCCOc1ncc(F)c(N)n1.
What is the InChIKey of 2-butoxy-5-fluoropyrimidin-4-amine?
The InChIKey is NYNMEPOEFRAUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-2-3-4-13-8-11-5-6(9)7(10)12-8/h5H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 2-butoxy-5-fluoropyrimidin-4-amine?
2-butoxy-5-fluoropyrimidin-4-amine has a molecular weight of 185.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 89165285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).