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

C15H16N4O2S — CID 118610633

IUPAC7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCC(C)c1ncnc2c(S(=O)(=O)c3ccccc3)c(N)[nH]c12
InChIInChI=1S/C15H16N4O2S/c1-9(2)11-12-13(18-8-17-11)14(15(16)19-12)22(20,21)10-6-4-3-5-7-10/h3-9,19H,16H2,1-2H3
InChIKeyGEFVLULAOLZZDF-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.50
Rot. Bonds3

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

7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118610633) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118610633
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCC(C)c1ncnc2c(S(=O)(=O)c3ccccc3)c(N)[nH]c12
InChIInChI=1S/C15H16N4O2S/c1-9(2)11-12-13(18-8-17-11)14(15(16)19-12)22(20,21)10-6-4-3-5-7-10/h3-9,19H,16H2,1-2H3
InChIKeyGEFVLULAOLZZDF-UHFFFAOYSA-N
XLogP2.50
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118610633) is 7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is CC(C)c1ncnc2c(S(=O)(=O)c3ccccc3)c(N)[nH]c12.
What is the InChIKey of 7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is GEFVLULAOLZZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9(2)11-12-13(18-8-17-11)14(15(16)19-12)22(20,21)10-6-4-3-5-7-10/h3-9,19H,16H2,1-2H3.
What are the key properties of 7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 316.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118610633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).