5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine

C11H11ClN2S — CID 130763318

IUPAC5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine
SMILESCc1cc(-c2ncc(CCl)c(C)n2)cs1
InChIInChI=1S/C11H11ClN2S/c1-7-3-9(6-15-7)11-13-5-10(4-12)8(2)14-11/h3,5-6H,4H2,1-2H3
InChIKeyIIVIDUDGHWKYGF-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.56
Rot. Bonds2

About 5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine

5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine (PubChem CID 130763318) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine
PubChem CID130763318
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine
SMILESCc1cc(-c2ncc(CCl)c(C)n2)cs1
InChIInChI=1S/C11H11ClN2S/c1-7-3-9(6-15-7)11-13-5-10(4-12)8(2)14-11/h3,5-6H,4H2,1-2H3
InChIKeyIIVIDUDGHWKYGF-UHFFFAOYSA-N
XLogP3.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.56
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-(chloromethyl)-5-methyl-2-(5-methylthiophen-3-yl)pyrimidine
CID 131020825
5-(chloromethyl)-4-methyl-2-(2H-triazol-4-yl)pyrimidine
CID 126974131
5-(chloromethyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidine
CID 102722607
2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine
CID 129051941
N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine
CID 130993339
4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine
CID 80936398
[2-(furan-3-yl)-4-methylpyrimidin-5-yl]methanol
CID 130482963
[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine
CID 114205926
5-(chloromethyl)-4-methyl-2-(2-methylimidazol-1-yl)pyrimidine
CID 83184417
5-(5-methylthiophen-3-yl)pyridin-2-amine
CID 65100165
3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine
CID 130139788
5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine
CID 130920630

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine (CID 130763318) is 5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine is Cc1cc(-c2ncc(CCl)c(C)n2)cs1.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine?
The InChIKey is IIVIDUDGHWKYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-7-3-9(6-15-7)11-13-5-10(4-12)8(2)14-11/h3,5-6H,4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine?
5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine has a molecular weight of 238.74 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-2-(5-methylthiophen-3-yl)pyrimidine is sourced from PubChem (CID 130763318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).