6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine

C14H13FIN3 — CID 81277655

IUPAC6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
SMILESCc1cc(F)ccc1-c1nc(N)c(I)c(C2CC2)n1
InChIInChI=1S/C14H13FIN3/c1-7-6-9(15)4-5-10(7)14-18-12(8-2-3-8)11(16)13(17)19-14/h4-6,8H,2-3H2,1H3,(H2,17,18,19)
InChIKeyIFSBYNPOOYKTFE-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.66
Rot. Bonds2

About 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine

6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine (PubChem CID 81277655) has the molecular formula C14H13FIN3 and a molecular weight of 369.18 g/mol. Its IUPAC name is 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
PubChem CID81277655
Molecular FormulaC14H13FIN3
Molecular Weight369.18 g/mol
Exact Mass369.01
IUPAC Name6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
SMILESCc1cc(F)ccc1-c1nc(N)c(I)c(C2CC2)n1
InChIInChI=1S/C14H13FIN3/c1-7-6-9(15)4-5-10(7)14-18-12(8-2-3-8)11(16)13(17)19-14/h4-6,8H,2-3H2,1H3,(H2,17,18,19)
InChIKeyIFSBYNPOOYKTFE-UHFFFAOYSA-N
XLogP3.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 53.66
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 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine (CID 81277655) is 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine is Cc1cc(F)ccc1-c1nc(N)c(I)c(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is IFSBYNPOOYKTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FIN3/c1-7-6-9(15)4-5-10(7)14-18-12(8-2-3-8)11(16)13(17)19-14/h4-6,8H,2-3H2,1H3,(H2,17,18,19).
What are the key properties of 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine?
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 369.18 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 81277655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).