4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine

C9H12F2N2O2 — CID 162378870

IUPAC4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine
SMILESCOc1ncnc(OC(F)F)c1C(C)C
InChIInChI=1S/C9H12F2N2O2/c1-5(2)6-7(14-3)12-4-13-8(6)15-9(10)11/h4-5,9H,1-3H3
InChIKeyDVAYYAUQKOKBPU-UHFFFAOYSA-N
MW218.20 g/mol
LogP2.21
Rot. Bonds4

About 4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine

4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine (PubChem CID 162378870) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine
PubChem CID162378870
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine
SMILESCOc1ncnc(OC(F)F)c1C(C)C
InChIInChI=1S/C9H12F2N2O2/c1-5(2)6-7(14-3)12-4-13-8(6)15-9(10)11/h4-5,9H,1-3H3
InChIKeyDVAYYAUQKOKBPU-UHFFFAOYSA-N
XLogP2.21
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine?
The IUPAC name of 4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine (CID 162378870) is 4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine is COc1ncnc(OC(F)F)c1C(C)C.
What is the InChIKey of 4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine?
The InChIKey is DVAYYAUQKOKBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c1-5(2)6-7(14-3)12-4-13-8(6)15-9(10)11/h4-5,9H,1-3H3.
What are the key properties of 4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine?
4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine has a molecular weight of 218.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-6-methoxy-5-propan-2-ylpyrimidine is sourced from PubChem (CID 162378870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).