7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C18H15N5O3S — CID 139331228

IUPAC7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc(C3CC3)on1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15N5O3S/c19-17-16-13(14-8-15(26-22-14)11-6-7-11)9-23(18(16)21-10-20-17)27(24,25)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,19,20,21)
InChIKeyVVXFXPKFFPMPSK-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.78
Rot. Bonds4

About 7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139331228) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139331228
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc(C3CC3)on1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15N5O3S/c19-17-16-13(14-8-15(26-22-14)11-6-7-11)9-23(18(16)21-10-20-17)27(24,25)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,19,20,21)
InChIKeyVVXFXPKFFPMPSK-UHFFFAOYSA-N
XLogP2.78
TPSA116.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 139331228) is 7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1cc(C3CC3)on1)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VVXFXPKFFPMPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c19-17-16-13(14-8-15(26-22-14)11-6-7-11)9-23(18(16)21-10-20-17)27(24,25)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,19,20,21).
What are the key properties of 7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 381.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139331228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).