4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine

C9H11ClF2N2O — CID 82004253

IUPAC4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1OCC(F)F
InChIInChI=1S/C9H11ClF2N2O/c1-5(2)7-8(10)13-4-14-9(7)15-3-6(11)12/h4-6H,3H2,1-2H3
InChIKeyKCWDUNRPCDDTSM-UHFFFAOYSA-N
MW236.65 g/mol
LogP2.90
Rot. Bonds4

About 4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine

4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine (PubChem CID 82004253) has the molecular formula C9H11ClF2N2O and a molecular weight of 236.65 g/mol. Its IUPAC name is 4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine
PubChem CID82004253
Molecular FormulaC9H11ClF2N2O
Molecular Weight236.65 g/mol
Exact Mass236.05
IUPAC Name4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1OCC(F)F
InChIInChI=1S/C9H11ClF2N2O/c1-5(2)7-8(10)13-4-14-9(7)15-3-6(11)12/h4-6H,3H2,1-2H3
InChIKeyKCWDUNRPCDDTSM-UHFFFAOYSA-N
XLogP2.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine (CID 82004253) is 4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)ncnc1OCC(F)F.
What is the InChIKey of 4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine?
The InChIKey is KCWDUNRPCDDTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2O/c1-5(2)7-8(10)13-4-14-9(7)15-3-6(11)12/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine?
4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine has a molecular weight of 236.65 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,2-difluoroethoxy)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 82004253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).