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

C12H16N6O3S — CID 142576056

IUPAC4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide
SMILESCC(C)c1cnc(S(N)(=O)=O)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C12H16N6O3S/c1-6(2)7-4-16-10(22(15,19)20)3-8(7)21-9-5-17-12(14)18-11(9)13/h3-6H,1-2H3,(H2,15,19,20)(H4,13,14,17,18)
InChIKeyJQNLBDUSVQEXRZ-UHFFFAOYSA-N
MW324.37 g/mol
LogP0.60
Rot. Bonds4

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

4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide (PubChem CID 142576056) has the molecular formula C12H16N6O3S and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide
PubChem CID142576056
Molecular FormulaC12H16N6O3S
Molecular Weight324.37 g/mol
Exact Mass324.10
IUPAC Name4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide
SMILESCC(C)c1cnc(S(N)(=O)=O)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C12H16N6O3S/c1-6(2)7-4-16-10(22(15,19)20)3-8(7)21-9-5-17-12(14)18-11(9)13/h3-6H,1-2H3,(H2,15,19,20)(H4,13,14,17,18)
InChIKeyJQNLBDUSVQEXRZ-UHFFFAOYSA-N
XLogP0.60
TPSA160.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide?
The IUPAC name of 4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide (CID 142576056) is 4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for 4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide?
The canonical SMILES for 4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide is CC(C)c1cnc(S(N)(=O)=O)cc1Oc1cnc(N)nc1N.
What is the InChIKey of 4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide?
The InChIKey is JQNLBDUSVQEXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3S/c1-6(2)7-4-16-10(22(15,19)20)3-8(7)21-9-5-17-12(14)18-11(9)13/h3-6H,1-2H3,(H2,15,19,20)(H4,13,14,17,18).
What are the key properties of 4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide?
4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide has a molecular weight of 324.37 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 142576056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).