2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C14H15FIN3O — CID 66303641

IUPAC2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccccc2F)nc(COC)c1I
InChIInChI=1S/C14H15FIN3O/c1-17-14-13(16)11(8-20-2)18-12(19-14)7-9-5-3-4-6-10(9)15/h3-6H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyMXTHMSOYELFDTC-UHFFFAOYSA-N
MW387.20 g/mol
LogP3.00
Rot. Bonds5

About 2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 66303641) has the molecular formula C14H15FIN3O and a molecular weight of 387.20 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID66303641
Molecular FormulaC14H15FIN3O
Molecular Weight387.20 g/mol
Exact Mass387.02
IUPAC Name2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccccc2F)nc(COC)c1I
InChIInChI=1S/C14H15FIN3O/c1-17-14-13(16)11(8-20-2)18-12(19-14)7-9-5-3-4-6-10(9)15/h3-6H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyMXTHMSOYELFDTC-UHFFFAOYSA-N
XLogP3.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66302417
5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66302205
5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305152
5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66304459
5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 66301389
2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66298883
5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476310
5-iodo-6-(methoxymethyl)-N-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66296431
6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
CID 66295420
5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66298412
5-iodo-6-(methoxymethyl)-N-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66301999
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302611

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 66303641) is 2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(Cc2ccccc2F)nc(COC)c1I.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is MXTHMSOYELFDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FIN3O/c1-17-14-13(16)11(8-20-2)18-12(19-14)7-9-5-3-4-6-10(9)15/h3-6H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 387.20 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66303641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).