N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide

C14H21N5O2S — CID 91661417

IUPACN-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)Nc2ccnc(C(C)(C)C)n2)c1
InChIInChI=1S/C14H21N5O2S/c1-10(2)19-8-12(16-9-19)22(20,21)18-11-6-7-15-13(17-11)14(3,4)5/h6-10H,1-5H3,(H,15,17,18)
InChIKeyBYMSGVOCVCUFJN-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.35
Rot. Bonds4

About N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide

N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 91661417) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID91661417
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)Nc2ccnc(C(C)(C)C)n2)c1
InChIInChI=1S/C14H21N5O2S/c1-10(2)19-8-12(16-9-19)22(20,21)18-11-6-7-15-13(17-11)14(3,4)5/h6-10H,1-5H3,(H,15,17,18)
InChIKeyBYMSGVOCVCUFJN-UHFFFAOYSA-N
XLogP2.35
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide (CID 91661417) is N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)Nc2ccnc(C(C)(C)C)n2)c1.
What is the InChIKey of N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is BYMSGVOCVCUFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-10(2)19-8-12(16-9-19)22(20,21)18-11-6-7-15-13(17-11)14(3,4)5/h6-10H,1-5H3,(H,15,17,18).
What are the key properties of N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide?
N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrimidin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 91661417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).