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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Related Compounds

2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine
CID 62313435
5-bromo-4-chloro-2-(1-chloroethyl)-6-methylpyrimidine
CID 80663394
4,6-dichloro-2-(1-chloroethyl)-5-propylpyrimidine
CID 80664816
4-chloro-2-(1-chloroethyl)-5-fluoro-6-methylpyrimidine
CID 80663151
(5-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-yl)hydrazine
CID 55136696
4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine
CID 80663980
2-(1-chloroethyl)-4,6-dimethylpyrimidine
CID 80655731
[5-ethyl-2-(1-methoxyethyl)-6-methylpyrimidin-4-yl]hydrazine
CID 79616270
2-chloro-4,5-diethyl-6-methylpyrimidine
CID 155686934
2,4-diethyl-3,5,6-trimethylpyridine
CID 59964349
4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine
CID 116745810
N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731738

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).