4-chloro-5-ethyl-6-pentoxypyrimidine

C11H17ClN2O — CID 63735031

IUPAC4-chloro-5-ethyl-6-pentoxypyrimidine
SMILESCCCCCOc1ncnc(Cl)c1CC
InChIInChI=1S/C11H17ClN2O/c1-3-5-6-7-15-11-9(4-2)10(12)13-8-14-11/h8H,3-7H2,1-2H3
InChIKeyFFUFENMIDAOEKZ-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.26
Rot. Bonds6

About 4-chloro-5-ethyl-6-pentoxypyrimidine

4-chloro-5-ethyl-6-pentoxypyrimidine (PubChem CID 63735031) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-pentoxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-pentoxypyrimidine
PubChem CID63735031
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-chloro-5-ethyl-6-pentoxypyrimidine
SMILESCCCCCOc1ncnc(Cl)c1CC
InChIInChI=1S/C11H17ClN2O/c1-3-5-6-7-15-11-9(4-2)10(12)13-8-14-11/h8H,3-7H2,1-2H3
InChIKeyFFUFENMIDAOEKZ-UHFFFAOYSA-N
XLogP3.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.26
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-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine
CID 63735543
4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
CID 112587576
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine
CID 80910142
4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine
CID 63736584
4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
4-chloro-6-heptoxy-5-nitropyrimidine
CID 62101502
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine
CID 63733980
4-chloro-6-(3-methylbut-3-enoxy)-5-propylpyrimidine
CID 114470129
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-pentoxypyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-pentoxypyrimidine (CID 63735031) is 4-chloro-5-ethyl-6-pentoxypyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-pentoxypyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-pentoxypyrimidine is CCCCCOc1ncnc(Cl)c1CC.
What is the InChIKey of 4-chloro-5-ethyl-6-pentoxypyrimidine?
The InChIKey is FFUFENMIDAOEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-3-5-6-7-15-11-9(4-2)10(12)13-8-14-11/h8H,3-7H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-pentoxypyrimidine?
4-chloro-5-ethyl-6-pentoxypyrimidine has a molecular weight of 228.72 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-pentoxypyrimidine is sourced from PubChem (CID 63735031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).