(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone

C13H15N5OS — CID 56750157

IUPAC(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1ncc2c(n1)CN(C(=O)c1snnc1CC)C2
InChIInChI=1S/C13H15N5OS/c1-3-9-12(20-17-16-9)13(19)18-6-8-5-14-11(4-2)15-10(8)7-18/h5H,3-4,6-7H2,1-2H3
InChIKeyWZAJRBGNPKJGDC-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.61
Rot. Bonds3

About (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone

(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 56750157) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone
PubChem CID56750157
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1ncc2c(n1)CN(C(=O)c1snnc1CC)C2
InChIInChI=1S/C13H15N5OS/c1-3-9-12(20-17-16-9)13(19)18-6-8-5-14-11(4-2)15-10(8)7-18/h5H,3-4,6-7H2,1-2H3
InChIKeyWZAJRBGNPKJGDC-UHFFFAOYSA-N
XLogP1.61
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone (CID 56750157) is (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone is CCc1ncc2c(n1)CN(C(=O)c1snnc1CC)C2.
What is the InChIKey of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is WZAJRBGNPKJGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-3-9-12(20-17-16-9)13(19)18-6-8-5-14-11(4-2)15-10(8)7-18/h5H,3-4,6-7H2,1-2H3.
What are the key properties of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone?
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 289.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 56750157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).