4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine

C10H15ClN2O2 — CID 63735543

IUPAC4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine
SMILESCCc1c(Cl)ncnc1OCCCOC
InChIInChI=1S/C10H15ClN2O2/c1-3-8-9(11)12-7-13-10(8)15-6-4-5-14-2/h7H,3-6H2,1-2H3
InChIKeyLBMSIOOCTLQGLV-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.11
Rot. Bonds6

About 4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine

4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine (PubChem CID 63735543) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine
PubChem CID63735543
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine
SMILESCCc1c(Cl)ncnc1OCCCOC
InChIInChI=1S/C10H15ClN2O2/c1-3-8-9(11)12-7-13-10(8)15-6-4-5-14-2/h7H,3-6H2,1-2H3
InChIKeyLBMSIOOCTLQGLV-UHFFFAOYSA-N
XLogP2.11
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-ethyl-6-pentoxypyrimidine
CID 63735031
4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
CID 112587576
4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine
CID 63736584
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 103176402
5-ethyl-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyrimidin-4-amine
CID 103408222
4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine
CID 63733980
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine
CID 103176433
N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 104568314

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine (CID 63735543) is 4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine is CCc1c(Cl)ncnc1OCCCOC.
What is the InChIKey of 4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine?
The InChIKey is LBMSIOOCTLQGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-3-8-9(11)12-7-13-10(8)15-6-4-5-14-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine?
4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine has a molecular weight of 230.69 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine is sourced from PubChem (CID 63735543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).