2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine

C14H14F2IN3O — CID 66297684

IUPAC2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2OC(F)F)nc(N)c1I
InChIInChI=1S/C14H14F2IN3O/c1-2-5-9-11(17)12(18)20-13(19-9)8-6-3-4-7-10(8)21-14(15)16/h3-4,6-7,14H,2,5H2,1H3,(H2,18,19,20)
InChIKeyZIYLDCMGTKOGHF-UHFFFAOYSA-N
MW405.19 g/mol
LogP3.88
Rot. Bonds5

About 2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine

2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 66297684) has the molecular formula C14H14F2IN3O and a molecular weight of 405.19 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine
PubChem CID66297684
Molecular FormulaC14H14F2IN3O
Molecular Weight405.19 g/mol
Exact Mass405.01
IUPAC Name2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2OC(F)F)nc(N)c1I
InChIInChI=1S/C14H14F2IN3O/c1-2-5-9-11(17)12(18)20-13(19-9)8-6-3-4-7-10(8)21-14(15)16/h3-4,6-7,14H,2,5H2,1H3,(H2,18,19,20)
InChIKeyZIYLDCMGTKOGHF-UHFFFAOYSA-N
XLogP3.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine (CID 66297684) is 2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccccc2OC(F)F)nc(N)c1I.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is ZIYLDCMGTKOGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2IN3O/c1-2-5-9-11(17)12(18)20-13(19-9)8-6-3-4-7-10(8)21-14(15)16/h3-4,6-7,14H,2,5H2,1H3,(H2,18,19,20).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine?
2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 405.19 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66297684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).