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

C14H14F2IN3O — CID 66302417

IUPAC2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccc(F)cc2F)nc(COC)c1I
InChIInChI=1S/C14H14F2IN3O/c1-18-14-13(17)11(7-21-2)19-12(20-14)5-8-3-4-9(15)6-10(8)16/h3-4,6H,5,7H2,1-2H3,(H,18,19,20)
InChIKeyCPXQQIYLWFDLGW-UHFFFAOYSA-N
MW405.19 g/mol
LogP3.14
Rot. Bonds5

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

2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 66302417) has the molecular formula C14H14F2IN3O and a molecular weight of 405.19 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID66302417
Molecular FormulaC14H14F2IN3O
Molecular Weight405.19 g/mol
Exact Mass405.01
IUPAC Name2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccc(F)cc2F)nc(COC)c1I
InChIInChI=1S/C14H14F2IN3O/c1-18-14-13(17)11(7-21-2)19-12(20-14)5-8-3-4-9(15)6-10(8)16/h3-4,6H,5,7H2,1-2H3,(H,18,19,20)
InChIKeyCPXQQIYLWFDLGW-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.19
LogP ≤ 53.14
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

2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66303641
2-(4-fluoro-2-methylphenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 81277426
2-[(2-chloro-4-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303631
5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66298412
5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66304459
2-[(2-chloro-4-fluorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307299
5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 66301389
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
2-[(2-chloro-4-fluorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299683
2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297973
[2-[(2,4-difluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 64559876

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 66302417) is 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(Cc2ccc(F)cc2F)nc(COC)c1I.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is CPXQQIYLWFDLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2IN3O/c1-18-14-13(17)11(7-21-2)19-12(20-14)5-8-3-4-9(15)6-10(8)16/h3-4,6H,5,7H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 405.19 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66302417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).