2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine

C12H19FN4O3S — CID 90634501

IUPAC2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine
SMILESCN(C)S(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C12H19FN4O3S/c1-17(2)21(18,19)16-10-3-5-11(6-4-10)20-12-14-7-9(13)8-15-12/h7-8,10-11,16H,3-6H2,1-2H3
InChIKeyLEXKREUZZHVZRL-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.70
Rot. Bonds5

About 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine

2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine (PubChem CID 90634501) has the molecular formula C12H19FN4O3S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine
PubChem CID90634501
Molecular FormulaC12H19FN4O3S
Molecular Weight318.37 g/mol
Exact Mass318.12
IUPAC Name2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine
SMILESCN(C)S(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C12H19FN4O3S/c1-17(2)21(18,19)16-10-3-5-11(6-4-10)20-12-14-7-9(13)8-15-12/h7-8,10-11,16H,3-6H2,1-2H3
InChIKeyLEXKREUZZHVZRL-UHFFFAOYSA-N
XLogP0.70
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine?
The IUPAC name of 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine (CID 90634501) is 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine.
What is the SMILES notation for 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine?
The canonical SMILES for 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine is CN(C)S(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine?
The InChIKey is LEXKREUZZHVZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O3S/c1-17(2)21(18,19)16-10-3-5-11(6-4-10)20-12-14-7-9(13)8-15-12/h7-8,10-11,16H,3-6H2,1-2H3.
What are the key properties of 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine?
2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine has a molecular weight of 318.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-5-fluoropyrimidine is sourced from PubChem (CID 90634501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).