2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

C18H19N5O3S — CID 90313368

IUPAC2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1
InChIInChI=1S/C18H19N5O3S/c1-12(24)8-23-27(25,26)17-5-3-2-4-15(17)13-6-7-16(20-9-13)14-10-21-18(19)22-11-14/h2-7,9-12,23-24H,8H2,1H3,(H2,19,21,22)/t12-/m1/s1
InChIKeyIPBJAXSVLFMTGY-GFCCVEGCSA-N
MW385.45 g/mol
LogP1.45
Rot. Bonds6

About 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 90313368) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
PubChem CID90313368
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1
InChIInChI=1S/C18H19N5O3S/c1-12(24)8-23-27(25,26)17-5-3-2-4-15(17)13-6-7-16(20-9-13)14-10-21-18(19)22-11-14/h2-7,9-12,23-24H,8H2,1H3,(H2,19,21,22)/t12-/m1/s1
InChIKeyIPBJAXSVLFMTGY-GFCCVEGCSA-N
XLogP1.45
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide (CID 90313368) is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide is C[C@@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1.
What is the InChIKey of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is IPBJAXSVLFMTGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-12(24)8-23-27(25,26)17-5-3-2-4-15(17)13-6-7-16(20-9-13)14-10-21-18(19)22-11-14/h2-7,9-12,23-24H,8H2,1H3,(H2,19,21,22)/t12-/m1/s1.
What are the key properties of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 90313368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).