5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine

C13H14IN3O — CID 66342329

IUPAC5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1cccc(CNc2ncncc2I)c1
InChIInChI=1S/C13H14IN3O/c1-18-8-11-4-2-3-10(5-11)6-16-13-12(14)7-15-9-17-13/h2-5,7,9H,6,8H2,1H3,(H,15,16,17)
InChIKeyGDXBDQVJOXERJX-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.84
Rot. Bonds5

About 5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine

5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 66342329) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is 5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID66342329
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC Name5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1cccc(CNc2ncncc2I)c1
InChIInChI=1S/C13H14IN3O/c1-18-8-11-4-2-3-10(5-11)6-16-13-12(14)7-15-9-17-13/h2-5,7,9H,6,8H2,1H3,(H,15,16,17)
InChIKeyGDXBDQVJOXERJX-UHFFFAOYSA-N
XLogP2.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.84
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-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
CID 66343046
N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 61253758
5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488
6-chloro-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193509
3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine
CID 113228936
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine
CID 106193512
5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66341707
3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 106875542
3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 62672178
N-[(3-amino-2-methylphenyl)methyl]-5-iodopyrimidin-4-amine
CID 103110845
N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine
CID 66319729

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine (CID 66342329) is 5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine is COCc1cccc(CNc2ncncc2I)c1.
What is the InChIKey of 5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is GDXBDQVJOXERJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c1-18-8-11-4-2-3-10(5-11)6-16-13-12(14)7-15-9-17-13/h2-5,7,9H,6,8H2,1H3,(H,15,16,17).
What are the key properties of 5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 355.18 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 66342329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).