1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine

C7H9FIN3 — CID 164652119

IUPAC1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ncc(I)c(F)n1
InChIInChI=1S/C7H9FIN3/c1-12(2)4-6-10-3-5(9)7(8)11-6/h3H,4H2,1-2H3
InChIKeyIJZILFDPMQBECS-UHFFFAOYSA-N
MW281.07 g/mol
LogP1.28
Rot. Bonds2

About 1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine

1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine (PubChem CID 164652119) has the molecular formula C7H9FIN3 and a molecular weight of 281.07 g/mol. Its IUPAC name is 1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine
PubChem CID164652119
Molecular FormulaC7H9FIN3
Molecular Weight281.07 g/mol
Exact Mass280.98
IUPAC Name1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ncc(I)c(F)n1
InChIInChI=1S/C7H9FIN3/c1-12(2)4-6-10-3-5(9)7(8)11-6/h3H,4H2,1-2H3
InChIKeyIJZILFDPMQBECS-UHFFFAOYSA-N
XLogP1.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-5-iodopyrimidine
CID 10263747
5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine
CID 79085948
[2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol
CID 130482956
1-(5-fluoro-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine
CID 146499062
2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 79088609
4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid
CID 116640960
N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine
CID 67889889
[2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine
CID 79089467
4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine
CID 66294711
2-fluoro-3-iodo-6-methylsulfanylpyridine
CID 131072382
5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine
CID 62893036
2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79089264

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine (CID 164652119) is 1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine is CN(C)Cc1ncc(I)c(F)n1.
What is the InChIKey of 1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine?
The InChIKey is IJZILFDPMQBECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FIN3/c1-12(2)4-6-10-3-5(9)7(8)11-6/h3H,4H2,1-2H3.
What are the key properties of 1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine?
1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine has a molecular weight of 281.07 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-iodopyrimidin-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 164652119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).