2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine

C14H14F2IN3 — CID 66300719

IUPAC2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cc2ccc(F)cc2F)nc(N)c1I
InChIInChI=1S/C14H14F2IN3/c1-7(2)13-12(17)14(18)20-11(19-13)5-8-3-4-9(15)6-10(8)16/h3-4,6-7H,5H2,1-2H3,(H2,18,19,20)
InChIKeyRWYODQFSWLOIKZ-UHFFFAOYSA-N
MW389.19 g/mol
LogP3.66
Rot. Bonds3

About 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine

2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300719) has the molecular formula C14H14F2IN3 and a molecular weight of 389.19 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300719
Molecular FormulaC14H14F2IN3
Molecular Weight389.19 g/mol
Exact Mass389.02
IUPAC Name2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cc2ccc(F)cc2F)nc(N)c1I
InChIInChI=1S/C14H14F2IN3/c1-7(2)13-12(17)14(18)20-11(19-13)5-8-3-4-9(15)6-10(8)16/h3-4,6-7H,5H2,1-2H3,(H2,18,19,20)
InChIKeyRWYODQFSWLOIKZ-UHFFFAOYSA-N
XLogP3.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
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 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 66300719) is 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cc2ccc(F)cc2F)nc(N)c1I.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is RWYODQFSWLOIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2IN3/c1-7(2)13-12(17)14(18)20-11(19-13)5-8-3-4-9(15)6-10(8)16/h3-4,6-7H,5H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 389.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).