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

C6H4N3- — CID 150748099

IUPAC4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide
SMILES[c-]1ncnc2[nH]ccc12
InChIInChI=1S/C6H4N3/c1-2-8-6-5(1)3-7-4-9-6/h1-2,4H,(H,7,8,9)/q-1
InChIKeyJVGYIQWDTQLJJV-UHFFFAOYSA-N
MW118.12 g/mol
LogP0.76
Rot. Bonds

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

4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide (PubChem CID 150748099) has the molecular formula C6H4N3- and a molecular weight of 118.12 g/mol. Its IUPAC name is 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide.

Molecular Properties

Compound Name4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide
PubChem CID150748099
Molecular FormulaC6H4N3-
Molecular Weight118.12 g/mol
Exact Mass118.04
IUPAC Name4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide
SMILES[c-]1ncnc2[nH]ccc12
InChIInChI=1S/C6H4N3/c1-2-8-6-5(1)3-7-4-9-6/h1-2,4H,(H,7,8,9)/q-1
InChIKeyJVGYIQWDTQLJJV-UHFFFAOYSA-N
XLogP0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.12
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5,6-Dihydro-7-azaindole
CID 70639991
4-Amino-1H-pyrrolo[2,3-d]pyrimidin-2(3H)-one
CID 135998933
6-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142308840
1,4-Dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten
CID 58431408
3-methylidene-N-(2-methyliminoethenyl)pyrrol-2-amine
CID 132104391
3-Bromo-4-chloro-2,7-dihydropyrrolo[2,3-d]pyrimidine
CID 134283142
4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-thiol
CID 135477873
3-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-2-imine
CID 136504792
7-Oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium
CID 140643307
4,7-Dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten
CID 140806118
N-[(1E)-2,3-dimethylbuta-1,3-dienyl]-3-methylidene-1H-pyrrol-2-imine
CID 143712881
5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
CID 144007412

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide?
The IUPAC name of 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide (CID 150748099) is 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide.
What is the SMILES notation for 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide?
The canonical SMILES for 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide is [c-]1ncnc2[nH]ccc12.
What is the InChIKey of 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide?
The InChIKey is JVGYIQWDTQLJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3/c1-2-8-6-5(1)3-7-4-9-6/h1-2,4H,(H,7,8,9)/q-1.
What are the key properties of 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide?
4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide has a molecular weight of 118.12 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide is sourced from PubChem (CID 150748099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).