2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine

C15H20N4O2S — CID 53490773

IUPAC2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ncc(S(=O)(=O)c2cccc(C)c2)c(N)n1
InChIInChI=1S/C15H20N4O2S/c1-4-19(5-2)15-17-10-13(14(16)18-15)22(20,21)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyGBRFATAXEXXHKF-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.05
Rot. Bonds5

About 2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine

2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine (PubChem CID 53490773) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine
PubChem CID53490773
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ncc(S(=O)(=O)c2cccc(C)c2)c(N)n1
InChIInChI=1S/C15H20N4O2S/c1-4-19(5-2)15-17-10-13(14(16)18-15)22(20,21)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyGBRFATAXEXXHKF-UHFFFAOYSA-N
XLogP2.05
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine (CID 53490773) is 2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine is CCN(CC)c1ncc(S(=O)(=O)c2cccc(C)c2)c(N)n1.
What is the InChIKey of 2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine?
The InChIKey is GBRFATAXEXXHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-19(5-2)15-17-10-13(14(16)18-15)22(20,21)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine?
2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine has a molecular weight of 320.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine is sourced from PubChem (CID 53490773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).