2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine

C10H15ClN2 — CID 80655215

IUPAC2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine
SMILESCCc1c(C)nc(C(C)Cl)nc1C
InChIInChI=1S/C10H15ClN2/c1-5-9-7(3)12-10(6(2)11)13-8(9)4/h6H,5H2,1-4H3
InChIKeyOICVWJFEEMTQQH-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.96
Rot. Bonds2

About 2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine

2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine (PubChem CID 80655215) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine
PubChem CID80655215
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine
SMILESCCc1c(C)nc(C(C)Cl)nc1C
InChIInChI=1S/C10H15ClN2/c1-5-9-7(3)12-10(6(2)11)13-8(9)4/h6H,5H2,1-4H3
InChIKeyOICVWJFEEMTQQH-UHFFFAOYSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine?
The IUPAC name of 2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine (CID 80655215) is 2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine is CCc1c(C)nc(C(C)Cl)nc1C.
What is the InChIKey of 2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine?
The InChIKey is OICVWJFEEMTQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-5-9-7(3)12-10(6(2)11)13-8(9)4/h6H,5H2,1-4H3.
What are the key properties of 2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine?
2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine has a molecular weight of 198.70 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine is sourced from PubChem (CID 80655215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).