4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine

C13H21ClN2O — CID 80973551

IUPAC4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine
SMILESCCCCCCOc1nc(CC)nc(Cl)c1C
InChIInChI=1S/C13H21ClN2O/c1-4-6-7-8-9-17-13-10(3)12(14)15-11(5-2)16-13/h4-9H2,1-3H3
InChIKeyMPMYUQNOXBBQMK-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.96
Rot. Bonds7

About 4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine

4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine (PubChem CID 80973551) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine
PubChem CID80973551
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine
SMILESCCCCCCOc1nc(CC)nc(Cl)c1C
InChIInChI=1S/C13H21ClN2O/c1-4-6-7-8-9-17-13-10(3)12(14)15-11(5-2)16-13/h4-9H2,1-3H3
InChIKeyMPMYUQNOXBBQMK-UHFFFAOYSA-N
XLogP3.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-6-hexoxy-5-methylpyrimidin-4-amine
CID 80989158
(2-ethyl-6-hexoxy-5-methylpyrimidin-4-yl)hydrazine
CID 81000285
4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine
CID 106665587
4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine
CID 103283665
4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine
CID 80974467
4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine
CID 80972982
4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine
CID 80973005
4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine
CID 112587573
2-butoxy-4,6-dichloro-5-methylpyrimidine
CID 118940482
4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
CID 80972729
4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine
CID 80974212
4-chloro-5-ethyl-6-pentoxypyrimidine
CID 63735031

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine (CID 80973551) is 4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine is CCCCCCOc1nc(CC)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine?
The InChIKey is MPMYUQNOXBBQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-4-6-7-8-9-17-13-10(3)12(14)15-11(5-2)16-13/h4-9H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine?
4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine has a molecular weight of 256.78 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine is sourced from PubChem (CID 80973551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).