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

C17H24N4O2S — CID 53490776

IUPAC2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine
SMILESCCCCN(CC)c1ncc(S(=O)(=O)c2cccc(C)c2)c(N)n1
InChIInChI=1S/C17H24N4O2S/c1-4-6-10-21(5-2)17-19-12-15(16(18)20-17)24(22,23)14-9-7-8-13(3)11-14/h7-9,11-12H,4-6,10H2,1-3H3,(H2,18,19,20)
InChIKeyCDALZEBUDVOSET-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.83
Rot. Bonds7

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

2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine (PubChem CID 53490776) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine
PubChem CID53490776
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine
SMILESCCCCN(CC)c1ncc(S(=O)(=O)c2cccc(C)c2)c(N)n1
InChIInChI=1S/C17H24N4O2S/c1-4-6-10-21(5-2)17-19-12-15(16(18)20-17)24(22,23)14-9-7-8-13(3)11-14/h7-9,11-12H,4-6,10H2,1-3H3,(H2,18,19,20)
InChIKeyCDALZEBUDVOSET-UHFFFAOYSA-N
XLogP2.83
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine (CID 53490776) is 2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine is CCCCN(CC)c1ncc(S(=O)(=O)c2cccc(C)c2)c(N)n1.
What is the InChIKey of 2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine?
The InChIKey is CDALZEBUDVOSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-4-6-10-21(5-2)17-19-12-15(16(18)20-17)24(22,23)14-9-7-8-13(3)11-14/h7-9,11-12H,4-6,10H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine?
2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine has a molecular weight of 348.47 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-ethyl-5-(3-methylphenyl)sulfonylpyrimidine-2,4-diamine is sourced from PubChem (CID 53490776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).