2,4-diamino-6-phenylpyrimidine-5-sulfonamide

C10H11N5O2S — CID 69298696

IUPAC2,4-diamino-6-phenylpyrimidine-5-sulfonamide
SMILESNc1nc(N)c(S(N)(=O)=O)c(-c2ccccc2)n1
InChIInChI=1S/C10H11N5O2S/c11-9-8(18(13,16)17)7(14-10(12)15-9)6-4-2-1-3-5-6/h1-5H,(H2,13,16,17)(H4,11,12,14,15)
InChIKeyXEXODUSNKKBGGN-UHFFFAOYSA-N
MW265.30 g/mol
LogP-0.04
Rot. Bonds2

About 2,4-diamino-6-phenylpyrimidine-5-sulfonamide

2,4-diamino-6-phenylpyrimidine-5-sulfonamide (PubChem CID 69298696) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2,4-diamino-6-phenylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2,4-diamino-6-phenylpyrimidine-5-sulfonamide
PubChem CID69298696
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name2,4-diamino-6-phenylpyrimidine-5-sulfonamide
SMILESNc1nc(N)c(S(N)(=O)=O)c(-c2ccccc2)n1
InChIInChI=1S/C10H11N5O2S/c11-9-8(18(13,16)17)7(14-10(12)15-9)6-4-2-1-3-5-6/h1-5H,(H2,13,16,17)(H4,11,12,14,15)
InChIKeyXEXODUSNKKBGGN-UHFFFAOYSA-N
XLogP-0.04
TPSA137.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-phenylpyrimidine-5-sulfonamide?
The IUPAC name of 2,4-diamino-6-phenylpyrimidine-5-sulfonamide (CID 69298696) is 2,4-diamino-6-phenylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2,4-diamino-6-phenylpyrimidine-5-sulfonamide?
The canonical SMILES for 2,4-diamino-6-phenylpyrimidine-5-sulfonamide is Nc1nc(N)c(S(N)(=O)=O)c(-c2ccccc2)n1.
What is the InChIKey of 2,4-diamino-6-phenylpyrimidine-5-sulfonamide?
The InChIKey is XEXODUSNKKBGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c11-9-8(18(13,16)17)7(14-10(12)15-9)6-4-2-1-3-5-6/h1-5H,(H2,13,16,17)(H4,11,12,14,15).
What are the key properties of 2,4-diamino-6-phenylpyrimidine-5-sulfonamide?
2,4-diamino-6-phenylpyrimidine-5-sulfonamide has a molecular weight of 265.30 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-phenylpyrimidine-5-sulfonamide is sourced from PubChem (CID 69298696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).