4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine

C11H17ClN2O — CID 106814990

IUPAC4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine
SMILESCCOCCc1nc(C)c(CC)c(Cl)n1
InChIInChI=1S/C11H17ClN2O/c1-4-9-8(3)13-10(14-11(9)12)6-7-15-5-2/h4-7H2,1-3H3
InChIKeyMWRHBBCQIMPGSE-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.58
Rot. Bonds5

About 4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine

4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine (PubChem CID 106814990) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine
PubChem CID106814990
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine
SMILESCCOCCc1nc(C)c(CC)c(Cl)n1
InChIInChI=1S/C11H17ClN2O/c1-4-9-8(3)13-10(14-11(9)12)6-7-15-5-2/h4-7H2,1-3H3
InChIKeyMWRHBBCQIMPGSE-UHFFFAOYSA-N
XLogP2.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-dichloro-2-(2-ethoxyethyl)-5-ethylpyrimidine
CID 106815000
[2-(2-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 106815543
5-bromo-4-chloro-2-(2-ethoxyethyl)-6-ethylpyrimidine
CID 106815014
4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine
CID 106815017
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine
CID 102927201
4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine
CID 106815035
4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine
CID 54898228
5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine
CID 106815020
4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine
CID 61412813
5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine
CID 106815034
5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150290
2-[2-(2-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
CID 106815566

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine (CID 106814990) is 4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine is CCOCCc1nc(C)c(CC)c(Cl)n1.
What is the InChIKey of 4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine?
The InChIKey is MWRHBBCQIMPGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-4-9-8(3)13-10(14-11(9)12)6-7-15-5-2/h4-7H2,1-3H3.
What are the key properties of 4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine?
4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine has a molecular weight of 228.72 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine is sourced from PubChem (CID 106814990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).