4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine

C15H15ClN2O3 — CID 80944786

IUPAC4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine
SMILESCOc1cccc(OC)c1Oc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C15H15ClN2O3/c1-19-10-4-3-5-11(20-2)14(10)21-13-8-12(16)17-15(18-13)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3
InChIKeyHEKYGHWCEWMYAL-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.82
Rot. Bonds5

About 4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine

4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine (PubChem CID 80944786) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine
PubChem CID80944786
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine
SMILESCOc1cccc(OC)c1Oc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C15H15ClN2O3/c1-19-10-4-3-5-11(20-2)14(10)21-13-8-12(16)17-15(18-13)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3
InChIKeyHEKYGHWCEWMYAL-UHFFFAOYSA-N
XLogP3.82
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine (CID 80944786) is 4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine is COc1cccc(OC)c1Oc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine?
The InChIKey is HEKYGHWCEWMYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-19-10-4-3-5-11(20-2)14(10)21-13-8-12(16)17-15(18-13)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine?
4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine has a molecular weight of 306.75 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine is sourced from PubChem (CID 80944786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).