N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide

C9H16N4O2S — CID 62150012

IUPACN-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NC(C)(C)C)cn1
InChIInChI=1S/C9H16N4O2S/c1-9(2,3)13-16(14,15)7-5-11-8(10-4)12-6-7/h5-6,13H,1-4H3,(H,10,11,12)
InChIKeyLWNOQBDBLNGDFL-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.60
Rot. Bonds3

About N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide

N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62150012) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62150012
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NC(C)(C)C)cn1
InChIInChI=1S/C9H16N4O2S/c1-9(2,3)13-16(14,15)7-5-11-8(10-4)12-6-7/h5-6,13H,1-4H3,(H,10,11,12)
InChIKeyLWNOQBDBLNGDFL-UHFFFAOYSA-N
XLogP0.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide (CID 62150012) is N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is LWNOQBDBLNGDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-9(2,3)13-16(14,15)7-5-11-8(10-4)12-6-7/h5-6,13H,1-4H3,(H,10,11,12).
What are the key properties of N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide?
N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62150012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).