7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine

C16H16N4O4S — CID 129187114

IUPAC7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESNc1[nH]c2c(O[C@H]3CCOC3)ncnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N4O4S/c17-15-14(25(21,22)11-4-2-1-3-5-11)12-13(20-15)16(19-9-18-12)24-10-6-7-23-8-10/h1-5,9-10,20H,6-8,17H2/t10-/m0/s1
InChIKeySROSXNOUBXSTIX-JTQLQIEISA-N
MW360.40 g/mol
LogP1.54
Rot. Bonds4

About 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine

7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 129187114) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID129187114
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESNc1[nH]c2c(O[C@H]3CCOC3)ncnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N4O4S/c17-15-14(25(21,22)11-4-2-1-3-5-11)12-13(20-15)16(19-9-18-12)24-10-6-7-23-8-10/h1-5,9-10,20H,6-8,17H2/t10-/m0/s1
InChIKeySROSXNOUBXSTIX-JTQLQIEISA-N
XLogP1.54
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 129187114) is 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine is Nc1[nH]c2c(O[C@H]3CCOC3)ncnc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is SROSXNOUBXSTIX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16N4O4S/c17-15-14(25(21,22)11-4-2-1-3-5-11)12-13(20-15)16(19-9-18-12)24-10-6-7-23-8-10/h1-5,9-10,20H,6-8,17H2/t10-/m0/s1.
What are the key properties of 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 360.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 129187114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).