2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine

C15H17FIN3 — CID 66306310

IUPAC2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)c2ccc(F)cc2)nc(C)c1I
InChIInChI=1S/C15H17FIN3/c1-9-12(17)13(18-4)20-14(19-9)15(2,3)10-5-7-11(16)8-6-10/h5-8H,1-4H3,(H,18,19,20)
InChIKeyCBLWGIVQVZOTCK-UHFFFAOYSA-N
MW385.22 g/mol
LogP3.90
Rot. Bonds3

About 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine

2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine (PubChem CID 66306310) has the molecular formula C15H17FIN3 and a molecular weight of 385.22 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine
PubChem CID66306310
Molecular FormulaC15H17FIN3
Molecular Weight385.22 g/mol
Exact Mass385.05
IUPAC Name2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)c2ccc(F)cc2)nc(C)c1I
InChIInChI=1S/C15H17FIN3/c1-9-12(17)13(18-4)20-14(19-9)15(2,3)10-5-7-11(16)8-6-10/h5-8H,1-4H3,(H,18,19,20)
InChIKeyCBLWGIVQVZOTCK-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
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-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine (CID 66306310) is 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine is CNc1nc(C(C)(C)c2ccc(F)cc2)nc(C)c1I.
What is the InChIKey of 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is CBLWGIVQVZOTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FIN3/c1-9-12(17)13(18-4)20-14(19-9)15(2,3)10-5-7-11(16)8-6-10/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 385.22 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66306310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).