5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine

C16H15N5O2S — CID 15987551

IUPAC5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine
SMILESNc1nc(N)c(S(=O)(=O)c2ccccc2)c(Nc2ccccc2)n1
InChIInChI=1S/C16H15N5O2S/c17-14-13(24(22,23)12-9-5-2-6-10-12)15(21-16(18)20-14)19-11-7-3-1-4-8-11/h1-10H,(H5,17,18,19,20,21)
InChIKeyRHLQMXIRIROYMK-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.22
Rot. Bonds4

About 5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine

5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine (PubChem CID 15987551) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine
PubChem CID15987551
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine
SMILESNc1nc(N)c(S(=O)(=O)c2ccccc2)c(Nc2ccccc2)n1
InChIInChI=1S/C16H15N5O2S/c17-14-13(24(22,23)12-9-5-2-6-10-12)15(21-16(18)20-14)19-11-7-3-1-4-8-11/h1-10H,(H5,17,18,19,20,21)
InChIKeyRHLQMXIRIROYMK-UHFFFAOYSA-N
XLogP2.22
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine?
The IUPAC name of 5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine (CID 15987551) is 5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine?
The canonical SMILES for 5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine is Nc1nc(N)c(S(=O)(=O)c2ccccc2)c(Nc2ccccc2)n1.
What is the InChIKey of 5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine?
The InChIKey is RHLQMXIRIROYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c17-14-13(24(22,23)12-9-5-2-6-10-12)15(21-16(18)20-14)19-11-7-3-1-4-8-11/h1-10H,(H5,17,18,19,20,21).
What are the key properties of 5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine?
5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine has a molecular weight of 341.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 15987551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).