5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine

C10H15ClN2O — CID 83183813

IUPAC5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine
SMILESCc1nc(OCC(C)C)ncc1CCl
InChIInChI=1S/C10H15ClN2O/c1-7(2)6-14-10-12-5-9(4-11)8(3)13-10/h5,7H,4,6H2,1-3H3
InChIKeyNJPFZPKHXTVYQD-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.56
Rot. Bonds4

About 5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine

5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine (PubChem CID 83183813) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine
PubChem CID83183813
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine
SMILESCc1nc(OCC(C)C)ncc1CCl
InChIInChI=1S/C10H15ClN2O/c1-7(2)6-14-10-12-5-9(4-11)8(3)13-10/h5,7H,4,6H2,1-3H3
InChIKeyNJPFZPKHXTVYQD-UHFFFAOYSA-N
XLogP2.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine (CID 83183813) is 5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine is Cc1nc(OCC(C)C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine?
The InChIKey is NJPFZPKHXTVYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(2)6-14-10-12-5-9(4-11)8(3)13-10/h5,7H,4,6H2,1-3H3.
What are the key properties of 5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine?
5-(chloromethyl)-4-methyl-2-(2-methylpropoxy)pyrimidine has a molecular weight of 214.70 g/mol, XLogP of 2.56, 4 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-(2-methylpropoxy)pyrimidine is sourced from PubChem (CID 83183813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).