5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone

C12H12N4OS — CID 154742387

IUPAC5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone
SMILESCCc1cnc(C(=O)N2Cc3cncnc3C2)s1
InChIInChI=1S/C12H12N4OS/c1-2-9-4-14-11(18-9)12(17)16-5-8-3-13-7-15-10(8)6-16/h3-4,7H,2,5-6H2,1H3
InChIKeyXYYYKPUDUSHZCI-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.65
Rot. Bonds2

About 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone

5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone (PubChem CID 154742387) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone
PubChem CID154742387
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone
SMILESCCc1cnc(C(=O)N2Cc3cncnc3C2)s1
InChIInChI=1S/C12H12N4OS/c1-2-9-4-14-11(18-9)12(17)16-5-8-3-13-7-15-10(8)6-16/h3-4,7H,2,5-6H2,1H3
InChIKeyXYYYKPUDUSHZCI-UHFFFAOYSA-N
XLogP1.65
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone (CID 154742387) is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone is CCc1cnc(C(=O)N2Cc3cncnc3C2)s1.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone?
The InChIKey is XYYYKPUDUSHZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-2-9-4-14-11(18-9)12(17)16-5-8-3-13-7-15-10(8)6-16/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone?
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone has a molecular weight of 260.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 154742387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).