4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide

C13H17N5O2S2 — CID 159340440

IUPAC4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide
SMILESCc1ncc(Sc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C13H17N5O2S2/c1-7(2)9-5-17-12(22(15,19)20)4-10(9)21-11-6-16-8(3)18-13(11)14/h4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20)
InChIKeyFVGJABZEEGLDNH-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.68
Rot. Bonds4

About 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide

4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide (PubChem CID 159340440) has the molecular formula C13H17N5O2S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide
PubChem CID159340440
Molecular FormulaC13H17N5O2S2
Molecular Weight339.45 g/mol
Exact Mass339.08
IUPAC Name4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide
SMILESCc1ncc(Sc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C13H17N5O2S2/c1-7(2)9-5-17-12(22(15,19)20)4-10(9)21-11-6-16-8(3)18-13(11)14/h4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20)
InChIKeyFVGJABZEEGLDNH-UHFFFAOYSA-N
XLogP1.68
TPSA124.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide?
The IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide (CID 159340440) is 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide?
The canonical SMILES for 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide is Cc1ncc(Sc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1.
What is the InChIKey of 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide?
The InChIKey is FVGJABZEEGLDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S2/c1-7(2)9-5-17-12(22(15,19)20)4-10(9)21-11-6-16-8(3)18-13(11)14/h4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20).
What are the key properties of 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide?
4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide has a molecular weight of 339.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 159340440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).