4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine

C10H8Cl2N2S — CID 130834174

IUPAC4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine
SMILESCc1cc(CCl)nc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H8Cl2N2S/c1-6-4-7(5-11)14-10(13-6)8-2-3-9(12)15-8/h2-4H,5H2,1H3
InChIKeyIRFWGWOMKFCUTR-UHFFFAOYSA-N
MW259.16 g/mol
LogP3.91
Rot. Bonds2

About 4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine

4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine (PubChem CID 130834174) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine
PubChem CID130834174
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine
SMILESCc1cc(CCl)nc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H8Cl2N2S/c1-6-4-7(5-11)14-10(13-6)8-2-3-9(12)15-8/h2-4H,5H2,1H3
InChIKeyIRFWGWOMKFCUTR-UHFFFAOYSA-N
XLogP3.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 53.91
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 4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine?
The IUPAC name of 4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine (CID 130834174) is 4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine.
What is the SMILES notation for 4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine?
The canonical SMILES for 4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine is Cc1cc(CCl)nc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine?
The InChIKey is IRFWGWOMKFCUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c1-6-4-7(5-11)14-10(13-6)8-2-3-9(12)15-8/h2-4H,5H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine?
4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine has a molecular weight of 259.16 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine is sourced from PubChem (CID 130834174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).