4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine

C11H15ClF2N2O — CID 103146673

IUPAC4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(CCOCC(F)F)n1
InChIInChI=1S/C11H15ClF2N2O/c1-2-3-8-6-9(12)16-11(15-8)4-5-17-7-10(13)14/h6,10H,2-5,7H2,1H3
InChIKeyXMVPQQYRHHMWAL-UHFFFAOYSA-N
MW264.70 g/mol
LogP2.91
Rot. Bonds7

About 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine

4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine (PubChem CID 103146673) has the molecular formula C11H15ClF2N2O and a molecular weight of 264.70 g/mol. Its IUPAC name is 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine
PubChem CID103146673
Molecular FormulaC11H15ClF2N2O
Molecular Weight264.70 g/mol
Exact Mass264.08
IUPAC Name4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(CCOCC(F)F)n1
InChIInChI=1S/C11H15ClF2N2O/c1-2-3-8-6-9(12)16-11(15-8)4-5-17-7-10(13)14/h6,10H,2-5,7H2,1H3
InChIKeyXMVPQQYRHHMWAL-UHFFFAOYSA-N
XLogP2.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine (CID 103146673) is 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine is CCCc1cc(Cl)nc(CCOCC(F)F)n1.
What is the InChIKey of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine?
The InChIKey is XMVPQQYRHHMWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2N2O/c1-2-3-8-6-9(12)16-11(15-8)4-5-17-7-10(13)14/h6,10H,2-5,7H2,1H3.
What are the key properties of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine?
4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine has a molecular weight of 264.70 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine is sourced from PubChem (CID 103146673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).