5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine

C11H10IN3O — CID 66341469

IUPAC5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncncc2I)cc1
InChIInChI=1S/C11H10IN3O/c1-16-9-4-2-8(3-5-9)15-11-10(12)6-13-7-14-11/h2-7H,1H3,(H,13,14,15)
InChIKeyBOHREUYMYNTTHW-UHFFFAOYSA-N
MW327.13 g/mol
LogP2.83
Rot. Bonds3

About 5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine

5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 66341469) has the molecular formula C11H10IN3O and a molecular weight of 327.13 g/mol. Its IUPAC name is 5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine
PubChem CID66341469
Molecular FormulaC11H10IN3O
Molecular Weight327.13 g/mol
Exact Mass326.99
IUPAC Name5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncncc2I)cc1
InChIInChI=1S/C11H10IN3O/c1-16-9-4-2-8(3-5-9)15-11-10(12)6-13-7-14-11/h2-7H,1H3,(H,13,14,15)
InChIKeyBOHREUYMYNTTHW-UHFFFAOYSA-N
XLogP2.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 52.83
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

5-iodo-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 66341024
N-(4-bromophenyl)-5-iodopyrimidin-4-amine
CID 66339928
N-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66340603
N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 114840671
5-iodo-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66341010
N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
CID 66340130
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145
5-iodo-N-(3-phenoxyphenyl)pyrimidin-4-amine
CID 66319058
N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66342395
5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66320856
N-(3-fluoro-5-methylphenyl)-5-iodopyrimidin-4-amine
CID 79046105
5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 66317781

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine (CID 66341469) is 5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine is COc1ccc(Nc2ncncc2I)cc1.
What is the InChIKey of 5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is BOHREUYMYNTTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O/c1-16-9-4-2-8(3-5-9)15-11-10(12)6-13-7-14-11/h2-7H,1H3,(H,13,14,15).
What are the key properties of 5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine?
5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 327.13 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66341469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).