2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C9H8N4OS — CID 136941241

IUPAC2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cncs2)nc2c1CNC2
InChIInChI=1S/C9H8N4OS/c14-9-5-1-10-2-6(5)12-8(13-9)7-3-11-4-15-7/h3-4,10H,1-2H2,(H,12,13,14)
InChIKeyMRUIIFAFZJZILH-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.50
Rot. Bonds1

About 2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941241) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941241
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cncs2)nc2c1CNC2
InChIInChI=1S/C9H8N4OS/c14-9-5-1-10-2-6(5)12-8(13-9)7-3-11-4-15-7/h3-4,10H,1-2H2,(H,12,13,14)
InChIKeyMRUIIFAFZJZILH-UHFFFAOYSA-N
XLogP0.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylpyrimidin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136992308
2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941342
2-(4-methylsulfanylphenyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136673908
2-(4-propan-2-ylphenyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941403
2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941265
2-(3,5-dibromo-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941453
2-(furan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941277
2-(3-fluoro-4-methylphenyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136992287
6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one
CID 154805156
2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride
CID 136666284
2-(4-fluoro-3-methoxyphenyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136889800
2-(2-bromo-3,4-difluorophenyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136906316

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941241) is 2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2cncs2)nc2c1CNC2.
What is the InChIKey of 2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is MRUIIFAFZJZILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c14-9-5-1-10-2-6(5)12-8(13-9)7-3-11-4-15-7/h3-4,10H,1-2H2,(H,12,13,14).
What are the key properties of 2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 220.26 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).