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

C14H16N6O2S — CID 86264555

IUPAC(4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESCc1nnsc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C14H16N6O2S/c1-9-12(23-18-17-9)13(21)20-7-10-6-15-14(16-11(10)8-20)19-2-4-22-5-3-19/h6H,2-5,7-8H2,1H3
InChIKeyOGZLNQDJIPGTTL-UHFFFAOYSA-N
MW332.39 g/mol
LogP0.63
Rot. Bonds2

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

(4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (PubChem CID 86264555) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
PubChem CID86264555
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name(4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESCc1nnsc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C14H16N6O2S/c1-9-12(23-18-17-9)13(21)20-7-10-6-15-14(16-11(10)8-20)19-2-4-22-5-3-19/h6H,2-5,7-8H2,1H3
InChIKeyOGZLNQDJIPGTTL-UHFFFAOYSA-N
XLogP0.63
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (CID 86264555) is (4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is Cc1nnsc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The InChIKey is OGZLNQDJIPGTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-9-12(23-18-17-9)13(21)20-7-10-6-15-14(16-11(10)8-20)19-2-4-22-5-3-19/h6H,2-5,7-8H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
(4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone has a molecular weight of 332.39 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 86264555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).