2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline

C11H10IN3O — CID 66340607

IUPAC2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline
SMILESCc1ccc(N)c(Oc2ncncc2I)c1
InChIInChI=1S/C11H10IN3O/c1-7-2-3-9(13)10(4-7)16-11-8(12)5-14-6-15-11/h2-6H,13H2,1H3
InChIKeyRKYXJJSFYJEKAE-UHFFFAOYSA-N
MW327.13 g/mol
LogP2.76
Rot. Bonds2

About 2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline

2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline (PubChem CID 66340607) has the molecular formula C11H10IN3O and a molecular weight of 327.13 g/mol. Its IUPAC name is 2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline.

Molecular Properties

Compound Name2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline
PubChem CID66340607
Molecular FormulaC11H10IN3O
Molecular Weight327.13 g/mol
Exact Mass326.99
IUPAC Name2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline
SMILESCc1ccc(N)c(Oc2ncncc2I)c1
InChIInChI=1S/C11H10IN3O/c1-7-2-3-9(13)10(4-7)16-11-8(12)5-14-6-15-11/h2-6H,13H2,1H3
InChIKeyRKYXJJSFYJEKAE-UHFFFAOYSA-N
XLogP2.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-iodopyrimidin-4-yl)oxy-2-methyl-5-propan-2-ylaniline
CID 66339755
2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline
CID 66342175
4-(5-iodopyrimidin-4-yl)oxy-3-(trifluoromethyl)aniline
CID 66342844
4-(2,4-dibromophenoxy)-5-iodopyrimidine
CID 66319605
5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine
CID 66321198
2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
CID 102703005
5-iodo-4-(3-methoxyphenoxy)pyrimidine
CID 66320020
5-iodo-4-(4-methylsulfanylphenoxy)pyrimidine
CID 66319830
5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine
CID 106597704
4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine
CID 66319360
4-methyl-2-(1,3-thiazol-2-yloxy)aniline
CID 43364080
N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide
CID 66320025

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline?
The IUPAC name of 2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline (CID 66340607) is 2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline.
What is the SMILES notation for 2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline?
The canonical SMILES for 2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline is Cc1ccc(N)c(Oc2ncncc2I)c1.
What is the InChIKey of 2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline?
The InChIKey is RKYXJJSFYJEKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O/c1-7-2-3-9(13)10(4-7)16-11-8(12)5-14-6-15-11/h2-6H,13H2,1H3.
What are the key properties of 2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline?
2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline has a molecular weight of 327.13 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline is sourced from PubChem (CID 66340607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).