3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C6H5N3O — CID 135408689

IUPAC3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]ccc12
InChIInChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)
InChIKeyFBMZEITWVNHWJW-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.25
Rot. Bonds

About 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135408689) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135408689
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]ccc12
InChIInChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)
InChIKeyFBMZEITWVNHWJW-UHFFFAOYSA-N
XLogP0.25
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-Aminomethyl-7-carbaguanine
CID 135398563
7-Deazaguanine
CID 135408714
7-Cyano-7-deazaguanine
CID 135446206
7-Deazaxanthine
CID 11819216
3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 4091939
2-Amino-5-methyl-3H-pyrrolo[2,3-D]pyrimidin-4(7H)-one
CID 135520243
2-Amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 135433723
1H-Pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione, 1,3-dimethyl-
CID 96548
Echiguanine A
CID 135492350
Echiguanine B
CID 135512730
2-(Methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135478869
2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 136230137

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135408689) is 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2[nH]ccc12.
What is the InChIKey of 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is FBMZEITWVNHWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10).
What are the key properties of 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 135.13 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135408689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).