5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide

C13H18N6O4S — CID 130436017

IUPAC5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N6O4S/c1-6(2)10-7(23-8-5-17-13(15)19-11(8)14)4-9(24(16,20)21)12(18-10)22-3/h4-6H,1-3H3,(H2,16,20,21)(H4,14,15,17,19)
InChIKeyIIRQMJPCAVXSRL-UHFFFAOYSA-N
MW354.39 g/mol
LogP0.61
Rot. Bonds5

About 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide

5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide (PubChem CID 130436017) has the molecular formula C13H18N6O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide
PubChem CID130436017
Molecular FormulaC13H18N6O4S
Molecular Weight354.39 g/mol
Exact Mass354.11
IUPAC Name5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N6O4S/c1-6(2)10-7(23-8-5-17-13(15)19-11(8)14)4-9(24(16,20)21)12(18-10)22-3/h4-6H,1-3H3,(H2,16,20,21)(H4,14,15,17,19)
InChIKeyIIRQMJPCAVXSRL-UHFFFAOYSA-N
XLogP0.61
TPSA169.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide (CID 130436017) is 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide is COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O.
What is the InChIKey of 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is IIRQMJPCAVXSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O4S/c1-6(2)10-7(23-8-5-17-13(15)19-11(8)14)4-9(24(16,20)21)12(18-10)22-3/h4-6H,1-3H3,(H2,16,20,21)(H4,14,15,17,19).
What are the key properties of 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide?
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 354.39 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 130436017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).