5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine

C12H12IN3O — CID 66320856

IUPAC5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine
SMILESCOCc1ccccc1Nc1ncncc1I
InChIInChI=1S/C12H12IN3O/c1-17-7-9-4-2-3-5-11(9)16-12-10(13)6-14-8-15-12/h2-6,8H,7H2,1H3,(H,14,15,16)
InChIKeyXTMDIPGMFMWDLX-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.97
Rot. Bonds4

About 5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine

5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine (PubChem CID 66320856) has the molecular formula C12H12IN3O and a molecular weight of 341.15 g/mol. Its IUPAC name is 5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine
PubChem CID66320856
Molecular FormulaC12H12IN3O
Molecular Weight341.15 g/mol
Exact Mass341.00
IUPAC Name5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine
SMILESCOCc1ccccc1Nc1ncncc1I
InChIInChI=1S/C12H12IN3O/c1-17-7-9-4-2-3-5-11(9)16-12-10(13)6-14-8-15-12/h2-6,8H,7H2,1H3,(H,14,15,16)
InChIKeyXTMDIPGMFMWDLX-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
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

6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
CID 63023250
4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80783013
N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66341231
5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80801553
2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
CID 114043687
3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile
CID 62683507
3-[2-(methoxymethyl)anilino]pyrazine-2-carbothioamide
CID 62684293
5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 66342329
N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66342395
5-iodo-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 66341024
N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66340125
N-(2,5-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66342348

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine (CID 66320856) is 5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine is COCc1ccccc1Nc1ncncc1I.
What is the InChIKey of 5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine?
The InChIKey is XTMDIPGMFMWDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O/c1-17-7-9-4-2-3-5-11(9)16-12-10(13)6-14-8-15-12/h2-6,8H,7H2,1H3,(H,14,15,16).
What are the key properties of 5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine?
5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine has a molecular weight of 341.15 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 66320856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).