4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile

C17H8F2N4S — CID 146669264

IUPAC4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(F)nc(N2c3ccccc3Sc3ccccc32)nc1F
InChIInChI=1S/C17H8F2N4S/c18-15-10(9-20)16(19)22-17(21-15)23-11-5-1-3-7-13(11)24-14-8-4-2-6-12(14)23/h1-8H
InChIKeyLRHFBJGGNPLOFL-UHFFFAOYSA-N
MW338.34 g/mol
LogP4.56
Rot. Bonds1

About 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile

4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile (PubChem CID 146669264) has the molecular formula C17H8F2N4S and a molecular weight of 338.34 g/mol. Its IUPAC name is 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile
PubChem CID146669264
Molecular FormulaC17H8F2N4S
Molecular Weight338.34 g/mol
Exact Mass338.04
IUPAC Name4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(F)nc(N2c3ccccc3Sc3ccccc32)nc1F
InChIInChI=1S/C17H8F2N4S/c18-15-10(9-20)16(19)22-17(21-15)23-11-5-1-3-7-13(11)24-14-8-4-2-6-12(14)23/h1-8H
InChIKeyLRHFBJGGNPLOFL-UHFFFAOYSA-N
XLogP4.56
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile (CID 146669264) is 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile is N#Cc1c(F)nc(N2c3ccccc3Sc3ccccc32)nc1F.
What is the InChIKey of 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile?
The InChIKey is LRHFBJGGNPLOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F2N4S/c18-15-10(9-20)16(19)22-17(21-15)23-11-5-1-3-7-13(11)24-14-8-4-2-6-12(14)23/h1-8H.
What are the key properties of 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile?
4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile has a molecular weight of 338.34 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 146669264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).