2-chloro-5-(2,2-diethoxyethoxy)pyrimidine

C10H15ClN2O3 — CID 86645897

IUPAC2-chloro-5-(2,2-diethoxyethoxy)pyrimidine
SMILESCCOC(COc1cnc(Cl)nc1)OCC
InChIInChI=1S/C10H15ClN2O3/c1-3-14-9(15-4-2)7-16-8-5-12-10(11)13-6-8/h5-6,9H,3-4,7H2,1-2H3
InChIKeyJYSFMTQGOYSAFH-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.91
Rot. Bonds7

About 2-chloro-5-(2,2-diethoxyethoxy)pyrimidine

2-chloro-5-(2,2-diethoxyethoxy)pyrimidine (PubChem CID 86645897) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is 2-chloro-5-(2,2-diethoxyethoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(2,2-diethoxyethoxy)pyrimidine
PubChem CID86645897
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Name2-chloro-5-(2,2-diethoxyethoxy)pyrimidine
SMILESCCOC(COc1cnc(Cl)nc1)OCC
InChIInChI=1S/C10H15ClN2O3/c1-3-14-9(15-4-2)7-16-8-5-12-10(11)13-6-8/h5-6,9H,3-4,7H2,1-2H3
InChIKeyJYSFMTQGOYSAFH-UHFFFAOYSA-N
XLogP1.91
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,2-diethoxyethoxy)pyrimidine?
The IUPAC name of 2-chloro-5-(2,2-diethoxyethoxy)pyrimidine (CID 86645897) is 2-chloro-5-(2,2-diethoxyethoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-(2,2-diethoxyethoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-(2,2-diethoxyethoxy)pyrimidine is CCOC(COc1cnc(Cl)nc1)OCC.
What is the InChIKey of 2-chloro-5-(2,2-diethoxyethoxy)pyrimidine?
The InChIKey is JYSFMTQGOYSAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3/c1-3-14-9(15-4-2)7-16-8-5-12-10(11)13-6-8/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-5-(2,2-diethoxyethoxy)pyrimidine?
2-chloro-5-(2,2-diethoxyethoxy)pyrimidine has a molecular weight of 246.69 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,2-diethoxyethoxy)pyrimidine is sourced from PubChem (CID 86645897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).