5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine

C13H9IN4O — CID 101205558

IUPAC5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine
SMILESIc1cncnc1Nc1cccc(-c2ncco2)c1
InChIInChI=1S/C13H9IN4O/c14-11-7-15-8-17-12(11)18-10-3-1-2-9(6-10)13-16-4-5-19-13/h1-8H,(H,15,17,18)
InChIKeyAOBRNKVLJCHZGL-UHFFFAOYSA-N
MW364.15 g/mol
LogP3.48
Rot. Bonds3

About 5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine

5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine (PubChem CID 101205558) has the molecular formula C13H9IN4O and a molecular weight of 364.15 g/mol. Its IUPAC name is 5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine
PubChem CID101205558
Molecular FormulaC13H9IN4O
Molecular Weight364.15 g/mol
Exact Mass363.98
IUPAC Name5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine
SMILESIc1cncnc1Nc1cccc(-c2ncco2)c1
InChIInChI=1S/C13H9IN4O/c14-11-7-15-8-17-12(11)18-10-3-1-2-9(6-10)13-16-4-5-19-13/h1-8H,(H,15,17,18)
InChIKeyAOBRNKVLJCHZGL-UHFFFAOYSA-N
XLogP3.48
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine
CID 86030537
5-iodo-N-(3-phenoxyphenyl)pyrimidin-4-amine
CID 66319058
N-(4-bromophenyl)-5-iodopyrimidin-4-amine
CID 66339928
N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
CID 66340130
6-methoxy-N-[3-(1,3-oxazol-2-yl)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180917
N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66342395
4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine
CID 53477344
N-(3-phenylphenyl)-1,3-oxazol-2-amine
CID 91160432
5-iodo-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 66341024
N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 114840671
N-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66340603
5-iodo-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66341010

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine (CID 101205558) is 5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine is Ic1cncnc1Nc1cccc(-c2ncco2)c1.
What is the InChIKey of 5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine?
The InChIKey is AOBRNKVLJCHZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN4O/c14-11-7-15-8-17-12(11)18-10-3-1-2-9(6-10)13-16-4-5-19-13/h1-8H,(H,15,17,18).
What are the key properties of 5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine?
5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine has a molecular weight of 364.15 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 101205558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).