2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine

C11H11ClN2O — CID 116893719

IUPAC2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
SMILESCc1cc(-c2ccc(C)o2)nc(CCl)n1
InChIInChI=1S/C11H11ClN2O/c1-7-5-9(14-11(6-12)13-7)10-4-3-8(2)15-10/h3-5H,6H2,1-2H3
InChIKeyJHRSVMQVBPNHNX-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.09
Rot. Bonds2

About 2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine

2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine (PubChem CID 116893719) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
PubChem CID116893719
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
SMILESCc1cc(-c2ccc(C)o2)nc(CCl)n1
InChIInChI=1S/C11H11ClN2O/c1-7-5-9(14-11(6-12)13-7)10-4-3-8(2)15-10/h3-5H,6H2,1-2H3
InChIKeyJHRSVMQVBPNHNX-UHFFFAOYSA-N
XLogP3.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.09
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)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine?
The IUPAC name of 2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine (CID 116893719) is 2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine?
The canonical SMILES for 2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine is Cc1cc(-c2ccc(C)o2)nc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine?
The InChIKey is JHRSVMQVBPNHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-5-9(14-11(6-12)13-7)10-4-3-8(2)15-10/h3-5H,6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine?
2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine has a molecular weight of 222.67 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine is sourced from PubChem (CID 116893719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).