5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine

C9H12FN3O — CID 89416447

IUPAC5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine
SMILESC=C(CC)COc1ncc(F)c(N)n1
InChIInChI=1S/C9H12FN3O/c1-3-6(2)5-14-9-12-4-7(10)8(11)13-9/h4H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyPZPOIHROYGDOCV-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.54
Rot. Bonds4

About 5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine

5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine (PubChem CID 89416447) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine
PubChem CID89416447
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine
SMILESC=C(CC)COc1ncc(F)c(N)n1
InChIInChI=1S/C9H12FN3O/c1-3-6(2)5-14-9-12-4-7(10)8(11)13-9/h4H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyPZPOIHROYGDOCV-UHFFFAOYSA-N
XLogP1.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine (CID 89416447) is 5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine is C=C(CC)COc1ncc(F)c(N)n1.
What is the InChIKey of 5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine?
The InChIKey is PZPOIHROYGDOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-3-6(2)5-14-9-12-4-7(10)8(11)13-9/h4H,2-3,5H2,1H3,(H2,11,12,13).
What are the key properties of 5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine?
5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine has a molecular weight of 197.21 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine is sourced from PubChem (CID 89416447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).