4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine

C14H13ClN2O2 — CID 80948365

IUPAC4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine
SMILESCOc1ccc(Oc2cc(Cl)nc(C3CC3)n2)cc1
InChIInChI=1S/C14H13ClN2O2/c1-18-10-4-6-11(7-5-10)19-13-8-12(15)16-14(17-13)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeyPAAYMHLFSYEJHN-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.81
Rot. Bonds4

About 4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine

4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine (PubChem CID 80948365) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine
PubChem CID80948365
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine
SMILESCOc1ccc(Oc2cc(Cl)nc(C3CC3)n2)cc1
InChIInChI=1S/C14H13ClN2O2/c1-18-10-4-6-11(7-5-10)19-13-8-12(15)16-14(17-13)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeyPAAYMHLFSYEJHN-UHFFFAOYSA-N
XLogP3.81
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine (CID 80948365) is 4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine is COc1ccc(Oc2cc(Cl)nc(C3CC3)n2)cc1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine?
The InChIKey is PAAYMHLFSYEJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-18-10-4-6-11(7-5-10)19-13-8-12(15)16-14(17-13)9-2-3-9/h4-9H,2-3H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine?
4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine has a molecular weight of 276.72 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 80948365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).