4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine

C12H18FN3 — CID 126599342

IUPAC4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine
SMILESC=CC(C)C(C)Cc1nc(F)nc(C)c1N
InChIInChI=1S/C12H18FN3/c1-5-7(2)8(3)6-10-11(14)9(4)15-12(13)16-10/h5,7-8H,1,6,14H2,2-4H3
InChIKeyLUIVGYLTDUECIR-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.51
Rot. Bonds4

About 4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine

4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine (PubChem CID 126599342) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine
PubChem CID126599342
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine
SMILESC=CC(C)C(C)Cc1nc(F)nc(C)c1N
InChIInChI=1S/C12H18FN3/c1-5-7(2)8(3)6-10-11(14)9(4)15-12(13)16-10/h5,7-8H,1,6,14H2,2-4H3
InChIKeyLUIVGYLTDUECIR-UHFFFAOYSA-N
XLogP2.51
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine?
The IUPAC name of 4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine (CID 126599342) is 4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine.
What is the SMILES notation for 4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine?
The canonical SMILES for 4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine is C=CC(C)C(C)Cc1nc(F)nc(C)c1N.
What is the InChIKey of 4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine?
The InChIKey is LUIVGYLTDUECIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-5-7(2)8(3)6-10-11(14)9(4)15-12(13)16-10/h5,7-8H,1,6,14H2,2-4H3.
What are the key properties of 4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine?
4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine has a molecular weight of 223.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine is sourced from PubChem (CID 126599342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).