4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide

C8H9F2N3O3 — CID 171547804

IUPAC4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1c(OC)ncnc1OC(F)F
InChIInChI=1S/C8H9F2N3O3/c1-11-5(14)4-6(15-2)12-3-13-7(4)16-8(9)10/h3,8H,1-2H3,(H,11,14)
InChIKeyBFILZKURLDYPDH-UHFFFAOYSA-N
MW233.17 g/mol
LogP0.45
Rot. Bonds4

About 4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide

4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide (PubChem CID 171547804) has the molecular formula C8H9F2N3O3 and a molecular weight of 233.17 g/mol. Its IUPAC name is 4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide
PubChem CID171547804
Molecular FormulaC8H9F2N3O3
Molecular Weight233.17 g/mol
Exact Mass233.06
IUPAC Name4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1c(OC)ncnc1OC(F)F
InChIInChI=1S/C8H9F2N3O3/c1-11-5(14)4-6(15-2)12-3-13-7(4)16-8(9)10/h3,8H,1-2H3,(H,11,14)
InChIKeyBFILZKURLDYPDH-UHFFFAOYSA-N
XLogP0.45
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide (CID 171547804) is 4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide is CNC(=O)c1c(OC)ncnc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide?
The InChIKey is BFILZKURLDYPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O3/c1-11-5(14)4-6(15-2)12-3-13-7(4)16-8(9)10/h3,8H,1-2H3,(H,11,14).
What are the key properties of 4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide?
4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide has a molecular weight of 233.17 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 171547804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).