2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine

C14H15FIN3 — CID 66300521

IUPAC2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c(I)c(C(C)C)n2)cc1F
InChIInChI=1S/C14H15FIN3/c1-7(2)12-11(16)13(17)19-14(18-12)9-5-4-8(3)10(15)6-9/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyJIKOQNAMYSHYGB-UHFFFAOYSA-N
MW371.20 g/mol
LogP3.90
Rot. Bonds2

About 2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine

2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300521) has the molecular formula C14H15FIN3 and a molecular weight of 371.20 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300521
Molecular FormulaC14H15FIN3
Molecular Weight371.20 g/mol
Exact Mass371.03
IUPAC Name2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c(I)c(C(C)C)n2)cc1F
InChIInChI=1S/C14H15FIN3/c1-7(2)12-11(16)13(17)19-14(18-12)9-5-4-8(3)10(15)6-9/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyJIKOQNAMYSHYGB-UHFFFAOYSA-N
XLogP3.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 66300521) is 2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine is Cc1ccc(-c2nc(N)c(I)c(C(C)C)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is JIKOQNAMYSHYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FIN3/c1-7(2)12-11(16)13(17)19-14(18-12)9-5-4-8(3)10(15)6-9/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 371.20 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).