2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine

C17H31N5O2S — CID 72904887

IUPAC2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine
SMILESCCN(C)S(=O)(=O)NC(C)c1cnc(N(C)C2CCCCC2)nc1C
InChIInChI=1S/C17H31N5O2S/c1-6-21(4)25(23,24)20-14(3)16-12-18-17(19-13(16)2)22(5)15-10-8-7-9-11-15/h12,14-15,20H,6-11H2,1-5H3
InChIKeyMCCSHULEJQWGFK-UHFFFAOYSA-N
MW369.54 g/mol
LogP2.40
Rot. Bonds7

About 2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine

2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine (PubChem CID 72904887) has the molecular formula C17H31N5O2S and a molecular weight of 369.54 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine
PubChem CID72904887
Molecular FormulaC17H31N5O2S
Molecular Weight369.54 g/mol
Exact Mass369.22
IUPAC Name2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine
SMILESCCN(C)S(=O)(=O)NC(C)c1cnc(N(C)C2CCCCC2)nc1C
InChIInChI=1S/C17H31N5O2S/c1-6-21(4)25(23,24)20-14(3)16-12-18-17(19-13(16)2)22(5)15-10-8-7-9-11-15/h12,14-15,20H,6-11H2,1-5H3
InChIKeyMCCSHULEJQWGFK-UHFFFAOYSA-N
XLogP2.40
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine (CID 72904887) is 2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine is CCN(C)S(=O)(=O)NC(C)c1cnc(N(C)C2CCCCC2)nc1C.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine?
The InChIKey is MCCSHULEJQWGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2S/c1-6-21(4)25(23,24)20-14(3)16-12-18-17(19-13(16)2)22(5)15-10-8-7-9-11-15/h12,14-15,20H,6-11H2,1-5H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine?
2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine has a molecular weight of 369.54 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-5-[1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-4-methylpyrimidine is sourced from PubChem (CID 72904887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).