N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine

C11H9FIN3O — CID 114840671

IUPACN-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine
SMILESCOc1cc(Nc2ncncc2I)ccc1F
InChIInChI=1S/C11H9FIN3O/c1-17-10-4-7(2-3-8(10)12)16-11-9(13)5-14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyQBRAOTCCJMHXLZ-UHFFFAOYSA-N
MW345.12 g/mol
LogP2.97
Rot. Bonds3

About N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine

N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine (PubChem CID 114840671) has the molecular formula C11H9FIN3O and a molecular weight of 345.12 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine
PubChem CID114840671
Molecular FormulaC11H9FIN3O
Molecular Weight345.12 g/mol
Exact Mass344.98
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine
SMILESCOc1cc(Nc2ncncc2I)ccc1F
InChIInChI=1S/C11H9FIN3O/c1-17-10-4-7(2-3-8(10)12)16-11-9(13)5-14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyQBRAOTCCJMHXLZ-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66340603
5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 66341469
N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
CID 66340130
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
CID 114837203
7-bromo-6-(4-fluoro-3-methoxyanilino)quinazoline-5,8-dione
CID 178179603
N-(4-bromophenyl)-5-iodopyrimidin-4-amine
CID 66339928
4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 114841127
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
5-iodo-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66341010
N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 107577807
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114841210
N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66340125

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine (CID 114840671) is N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine is COc1cc(Nc2ncncc2I)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is QBRAOTCCJMHXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FIN3O/c1-17-10-4-7(2-3-8(10)12)16-11-9(13)5-14-6-15-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine?
N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 345.12 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 114840671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).