4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine

C11H15ClN2O — CID 64539232

IUPAC4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine
SMILESCCOC(C)c1nc(Cl)cc(C2CC2)n1
InChIInChI=1S/C11H15ClN2O/c1-3-15-7(2)11-13-9(8-4-5-8)6-10(12)14-11/h6-8H,3-5H2,1-2H3
InChIKeyVQNNVBBOJUYTOV-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.10
Rot. Bonds4

About 4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine

4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine (PubChem CID 64539232) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine
PubChem CID64539232
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine
SMILESCCOC(C)c1nc(Cl)cc(C2CC2)n1
InChIInChI=1S/C11H15ClN2O/c1-3-15-7(2)11-13-9(8-4-5-8)6-10(12)14-11/h6-8H,3-5H2,1-2H3
InChIKeyVQNNVBBOJUYTOV-UHFFFAOYSA-N
XLogP3.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine (CID 64539232) is 4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine is CCOC(C)c1nc(Cl)cc(C2CC2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine?
The InChIKey is VQNNVBBOJUYTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-15-7(2)11-13-9(8-4-5-8)6-10(12)14-11/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine?
4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine has a molecular weight of 226.71 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine is sourced from PubChem (CID 64539232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).