2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine

C6H5F2N3O3 — CID 170733743

IUPAC2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine
SMILESCOc1nc(OC(F)F)ncc1N=O
InChIInChI=1S/C6H5F2N3O3/c1-13-4-3(11-12)2-9-6(10-4)14-5(7)8/h2,5H,1H3
InChIKeyHCRDCXLFBUARMD-UHFFFAOYSA-N
MW205.12 g/mol
LogP1.48
Rot. Bonds4

About 2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine

2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine (PubChem CID 170733743) has the molecular formula C6H5F2N3O3 and a molecular weight of 205.12 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine
PubChem CID170733743
Molecular FormulaC6H5F2N3O3
Molecular Weight205.12 g/mol
Exact Mass205.03
IUPAC Name2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine
SMILESCOc1nc(OC(F)F)ncc1N=O
InChIInChI=1S/C6H5F2N3O3/c1-13-4-3(11-12)2-9-6(10-4)14-5(7)8/h2,5H,1H3
InChIKeyHCRDCXLFBUARMD-UHFFFAOYSA-N
XLogP1.48
TPSA73.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.12
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine?
The IUPAC name of 2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine (CID 170733743) is 2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine.
What is the SMILES notation for 2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine?
The canonical SMILES for 2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine is COc1nc(OC(F)F)ncc1N=O.
What is the InChIKey of 2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine?
The InChIKey is HCRDCXLFBUARMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O3/c1-13-4-3(11-12)2-9-6(10-4)14-5(7)8/h2,5H,1H3.
What are the key properties of 2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine?
2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine has a molecular weight of 205.12 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-methoxy-5-nitrosopyrimidine is sourced from PubChem (CID 170733743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).