2-amino-N-propan-2-ylpyrimidine-5-sulfonamide

C7H12N4O2S — CID 62150881

IUPAC2-amino-N-propan-2-ylpyrimidine-5-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C7H12N4O2S/c1-5(2)11-14(12,13)6-3-9-7(8)10-4-6/h3-5,11H,1-2H3,(H2,8,9,10)
InChIKeyZMDHJGCBZMADIF-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.25
Rot. Bonds3

About 2-amino-N-propan-2-ylpyrimidine-5-sulfonamide

2-amino-N-propan-2-ylpyrimidine-5-sulfonamide (PubChem CID 62150881) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-amino-N-propan-2-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-propan-2-ylpyrimidine-5-sulfonamide
PubChem CID62150881
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name2-amino-N-propan-2-ylpyrimidine-5-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C7H12N4O2S/c1-5(2)11-14(12,13)6-3-9-7(8)10-4-6/h3-5,11H,1-2H3,(H2,8,9,10)
InChIKeyZMDHJGCBZMADIF-UHFFFAOYSA-N
XLogP-0.25
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propan-2-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-propan-2-ylpyrimidine-5-sulfonamide (CID 62150881) is 2-amino-N-propan-2-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-propan-2-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-propan-2-ylpyrimidine-5-sulfonamide is CC(C)NS(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-propan-2-ylpyrimidine-5-sulfonamide?
The InChIKey is ZMDHJGCBZMADIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-5(2)11-14(12,13)6-3-9-7(8)10-4-6/h3-5,11H,1-2H3,(H2,8,9,10).
What are the key properties of 2-amino-N-propan-2-ylpyrimidine-5-sulfonamide?
2-amino-N-propan-2-ylpyrimidine-5-sulfonamide has a molecular weight of 216.27 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propan-2-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62150881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).