2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine

C15H15ClN2S — CID 141398238

IUPAC2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine
SMILESCc1ccccc1N1C=c2c(C)csc2=NC1CCl
InChIInChI=1S/C15H15ClN2S/c1-10-5-3-4-6-13(10)18-8-12-11(2)9-19-15(12)17-14(18)7-16/h3-6,8-9,14H,7H2,1-2H3
InChIKeyWDHZWDGVZXBPQX-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.81
Rot. Bonds2

About 2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine

2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine (PubChem CID 141398238) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine
PubChem CID141398238
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine
SMILESCc1ccccc1N1C=c2c(C)csc2=NC1CCl
InChIInChI=1S/C15H15ClN2S/c1-10-5-3-4-6-13(10)18-8-12-11(2)9-19-15(12)17-14(18)7-16/h3-6,8-9,14H,7H2,1-2H3
InChIKeyWDHZWDGVZXBPQX-UHFFFAOYSA-N
XLogP2.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine?
The IUPAC name of 2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine (CID 141398238) is 2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine is Cc1ccccc1N1C=c2c(C)csc2=NC1CCl.
What is the InChIKey of 2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine?
The InChIKey is WDHZWDGVZXBPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-10-5-3-4-6-13(10)18-8-12-11(2)9-19-15(12)17-14(18)7-16/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine?
2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine has a molecular weight of 290.82 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-3-(2-methylphenyl)-2H-thieno[2,3-d]pyrimidine is sourced from PubChem (CID 141398238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).