6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine

C13H11FIN3 — CID 66301746

IUPAC6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2cccc(F)c2)nc(C2CC2)c1I
InChIInChI=1S/C13H11FIN3/c14-9-3-1-2-8(6-9)13-17-11(7-4-5-7)10(15)12(16)18-13/h1-3,6-7H,4-5H2,(H2,16,17,18)
InChIKeyBXOJWZDGIXXUPY-UHFFFAOYSA-N
MW355.15 g/mol
LogP3.35
Rot. Bonds2

About 6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine

6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine (PubChem CID 66301746) has the molecular formula C13H11FIN3 and a molecular weight of 355.15 g/mol. Its IUPAC name is 6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine
PubChem CID66301746
Molecular FormulaC13H11FIN3
Molecular Weight355.15 g/mol
Exact Mass355.00
IUPAC Name6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2cccc(F)c2)nc(C2CC2)c1I
InChIInChI=1S/C13H11FIN3/c14-9-3-1-2-8(6-9)13-17-11(7-4-5-7)10(15)12(16)18-13/h1-3,6-7H,4-5H2,(H2,16,17,18)
InChIKeyBXOJWZDGIXXUPY-UHFFFAOYSA-N
XLogP3.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-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

Related Compounds

6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine
CID 115528554
6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66302764
6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66302561
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 81277655
2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66294124
2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine
CID 114454627
6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine
CID 107504376
2-(4-bromophenyl)-6-cyclopropyl-5-iodopyrimidin-4-amine
CID 66303584
4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine
CID 63868480
6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine
CID 79970668
2-(3-chloro-2-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine
CID 114488770
6-cyclopropyl-5-iodo-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 66312982

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine (CID 66301746) is 6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine is Nc1nc(-c2cccc(F)c2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine?
The InChIKey is BXOJWZDGIXXUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FIN3/c14-9-3-1-2-8(6-9)13-17-11(7-4-5-7)10(15)12(16)18-13/h1-3,6-7H,4-5H2,(H2,16,17,18).
What are the key properties of 6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine?
6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine has a molecular weight of 355.15 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66301746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).