4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

C9H10N4O — CID 122462502

IUPAC4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESO=C1NCc2ncnc(N3CCC3)c21
InChIInChI=1S/C9H10N4O/c14-9-7-6(4-10-9)11-5-12-8(7)13-2-1-3-13/h5H,1-4H2,(H,10,14)
InChIKeyWJUZVZADLWKNGB-UHFFFAOYSA-N
MW190.21 g/mol
LogP-0.07
Rot. Bonds1

About 4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 122462502) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID122462502
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESO=C1NCc2ncnc(N3CCC3)c21
InChIInChI=1S/C9H10N4O/c14-9-7-6(4-10-9)11-5-12-8(7)13-2-1-3-13/h5H,1-4H2,(H,10,14)
InChIKeyWJUZVZADLWKNGB-UHFFFAOYSA-N
XLogP-0.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-cyclopentyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52104808
5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-pyrrolidinyl)-
CID 3078700
6-cyclopentyl-2-(methylamino)-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52104797
2-amino-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52232905
6-propyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52234089
4-Amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione
CID 15262111
2-Amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 162576210
1-(4-Amino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethanone
CID 267681
6-methyl-2-piperazin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 9884718
2-Piperazino-5-oxo-5,6-dihydro(7H)pyrrolo[3,4-d]pyrimidine
CID 13784125
6-ethyl-2-piperazin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 13784128
2-piperazin-1-yl-6-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 13784134

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 122462502) is 4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is O=C1NCc2ncnc(N3CCC3)c21.
What is the InChIKey of 4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is WJUZVZADLWKNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c14-9-7-6(4-10-9)11-5-12-8(7)13-2-1-3-13/h5H,1-4H2,(H,10,14).
What are the key properties of 4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 190.21 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 122462502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).