2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine

C13H12BrFIN3 — CID 66423303

IUPAC2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(F)cc(Br)c2)ncc1I
InChIInChI=1S/C13H12BrFIN3/c1-2-3-17-13-11(16)7-18-12(19-13)8-4-9(14)6-10(15)5-8/h4-7H,2-3H2,1H3,(H,17,18,19)
InChIKeyCRAWRFXEVMGPJP-UHFFFAOYSA-N
MW436.07 g/mol
LogP4.47
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine

2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 66423303) has the molecular formula C13H12BrFIN3 and a molecular weight of 436.07 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine
PubChem CID66423303
Molecular FormulaC13H12BrFIN3
Molecular Weight436.07 g/mol
Exact Mass434.92
IUPAC Name2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(F)cc(Br)c2)ncc1I
InChIInChI=1S/C13H12BrFIN3/c1-2-3-17-13-11(16)7-18-12(19-13)8-4-9(14)6-10(15)5-8/h4-7H,2-3H2,1H3,(H,17,18,19)
InChIKeyCRAWRFXEVMGPJP-UHFFFAOYSA-N
XLogP4.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.07
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66304355
5-iodo-2-phenyl-N-propylpyrimidin-4-amine
CID 66303336
2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66423101
2-(7-bromo-1,3-benzodioxol-5-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 66296489
2-(4-chlorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66302314
2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66307321
2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 79980922
2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66297059
2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66424690
N-[[2-(3-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 66424301
2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66295896
2-(4-chlorothiophen-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 79426456

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine (CID 66423303) is 2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cc(F)cc(Br)c2)ncc1I.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is CRAWRFXEVMGPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFIN3/c1-2-3-17-13-11(16)7-18-12(19-13)8-4-9(14)6-10(15)5-8/h4-7H,2-3H2,1H3,(H,17,18,19).
What are the key properties of 2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine?
2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 436.07 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66423303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).