4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine

C10H10ClF3N2O — CID 82954876

IUPAC4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine
SMILESFC(F)(F)CCOc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C10H10ClF3N2O/c11-7-5-8(17-4-3-10(12,13)14)16-9(15-7)6-1-2-6/h5-6H,1-4H2
InChIKeyPSJVRSSLCZYMAD-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.34
Rot. Bonds4

About 4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine

4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine (PubChem CID 82954876) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine
PubChem CID82954876
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine
SMILESFC(F)(F)CCOc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C10H10ClF3N2O/c11-7-5-8(17-4-3-10(12,13)14)16-9(15-7)6-1-2-6/h5-6H,1-4H2
InChIKeyPSJVRSSLCZYMAD-UHFFFAOYSA-N
XLogP3.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine (CID 82954876) is 4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine is FC(F)(F)CCOc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine?
The InChIKey is PSJVRSSLCZYMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-7-5-8(17-4-3-10(12,13)14)16-9(15-7)6-1-2-6/h5-6H,1-4H2.
What are the key properties of 4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine?
4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine has a molecular weight of 266.65 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine is sourced from PubChem (CID 82954876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).