5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine

C12H10ClF2N3 — CID 114205492

IUPAC5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine
SMILESFC(F)c1nc(Cc2ccccn2)ncc1CCl
InChIInChI=1S/C12H10ClF2N3/c13-6-8-7-17-10(18-11(8)12(14)15)5-9-3-1-2-4-16-9/h1-4,7,12H,5-6H2
InChIKeyKZORTXWRZGPULI-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.14
Rot. Bonds4

About 5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine

5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine (PubChem CID 114205492) has the molecular formula C12H10ClF2N3 and a molecular weight of 269.68 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine
PubChem CID114205492
Molecular FormulaC12H10ClF2N3
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Name5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine
SMILESFC(F)c1nc(Cc2ccccn2)ncc1CCl
InChIInChI=1S/C12H10ClF2N3/c13-6-8-7-17-10(18-11(8)12(14)15)5-9-3-1-2-4-16-9/h1-4,7,12H,5-6H2
InChIKeyKZORTXWRZGPULI-UHFFFAOYSA-N
XLogP3.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol
CID 114205178
N-methyl-1-[4-methyl-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62769957
2-(chloromethyl)pyridine;hydron;chloride
CID 67269716
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 114245179
2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine
CID 134267009
5-(chloromethyl)-4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidine
CID 114205496
2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747219
1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine
CID 55113743
ethyl 4-chloro-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 114213761
6-methyl-5-propan-2-yl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55130882
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62757130

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine?
The IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine (CID 114205492) is 5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine is FC(F)c1nc(Cc2ccccn2)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine?
The InChIKey is KZORTXWRZGPULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3/c13-6-8-7-17-10(18-11(8)12(14)15)5-9-3-1-2-4-16-9/h1-4,7,12H,5-6H2.
What are the key properties of 5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine?
5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine has a molecular weight of 269.68 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine is sourced from PubChem (CID 114205492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).