2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide

C13H17N5O2S — CID 90273034

IUPAC2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1c(-c2cncnc2)ccnc1N
InChIInChI=1S/C13H17N5O2S/c1-13(2,3)18-21(19,20)11-10(4-5-17-12(11)14)9-6-15-8-16-7-9/h4-8,18H,1-3H3,(H2,14,17)
InChIKeyDDUXEQOWUXZUJO-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.20
Rot. Bonds3

About 2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide

2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide (PubChem CID 90273034) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide
PubChem CID90273034
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1c(-c2cncnc2)ccnc1N
InChIInChI=1S/C13H17N5O2S/c1-13(2,3)18-21(19,20)11-10(4-5-17-12(11)14)9-6-15-8-16-7-9/h4-8,18H,1-3H3,(H2,14,17)
InChIKeyDDUXEQOWUXZUJO-UHFFFAOYSA-N
XLogP1.20
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide (CID 90273034) is 2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1c(-c2cncnc2)ccnc1N.
What is the InChIKey of 2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide?
The InChIKey is DDUXEQOWUXZUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-13(2,3)18-21(19,20)11-10(4-5-17-12(11)14)9-6-15-8-16-7-9/h4-8,18H,1-3H3,(H2,14,17).
What are the key properties of 2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide?
2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide is sourced from PubChem (CID 90273034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).