4-Chloro-6-{[2-(3-fluoro-2-pyridinyl)-1H-imidazol-1-yl]methyl}-5-propylpyrimidine

HCID 10042352

Notes Reactions

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Basic information

CAS: 691885-73-1
Standard SMILES: CCCc1c(Cl)ncnc1Cn1ccnc1-c1ncccc1F
InChIKey: XWXPSQYSSKCHSM-UHFFFAOYSA-N
Molecular formula: C16H15ClFN5
Average molar mass: 331.77 g/mol
Monoisotopic mass: 331.10000138

Names & identifiers

Preferred name: 4-Chloro-6-{[2-(3-fluoro-2-pyridinyl)-1H-imidazol-1-yl]methyl}-5-propylpyrimidine
IUPAC: 4-chloro-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyrimidine

Names & synonyms

691885-73-14-Chloro-6-{[2-(3-fluoro-2-pyridinyl)-1H-imidazol-1-yl]methyl}-5-propylpyrimidineSCHEMBL4769901DTXSID50434694XWXPSQYSSKCHSM-UHFFFAOYSA-NAG-G-689634-chloro-6-[2-(3-fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-5-propyl-pyrimidine4-Chloro-6-{[2-(3-fluoropyridin-2-yl)-1H-imidazol-1-yl]methyl}-5-propylpyrimidine

Database identifiers

CAS: 691885-73-1
PubChem CID: 10042352
DTXSID: DTXSID50434694

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 56.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 374

Related reactions

8 records

New reaction record

HRID 122219As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 147913As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 700031As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 916650As reactantuspto-grants-2007_09

HRID 965688As reactantuspto-grants-2005_10

HRID 965689As reactantuspto-grants-2005_10

HRID 965690As reactantuspto-grants-2005_10

HRID 2125669As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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