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

C6H4N3W- — CID 140806118

IUPAC4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten
SMILES[W].[c-]1ncnc2[nH]ccc12
InChIInChI=1S/C6H4N3.W/c1-2-8-6-5(1)3-7-4-9-6;/h1-2,4H,(H,7,8,9);/q-1;
InChIKeyGRWWPNSQWOKOSE-UHFFFAOYSA-N
MW301.96 g/mol
LogP0.76
Rot. Bonds

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

4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten (PubChem CID 140806118) has the molecular formula C6H4N3W- and a molecular weight of 301.96 g/mol. Its IUPAC name is 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten.

Molecular Properties

Compound Name4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten
PubChem CID140806118
Molecular FormulaC6H4N3W-
Molecular Weight301.96 g/mol
Exact Mass301.99
IUPAC Name4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten
SMILES[W].[c-]1ncnc2[nH]ccc12
InChIInChI=1S/C6H4N3.W/c1-2-8-6-5(1)3-7-4-9-6;/h1-2,4H,(H,7,8,9);/q-1;
InChIKeyGRWWPNSQWOKOSE-UHFFFAOYSA-N
XLogP0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.96
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
1,4-Dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten
CID 58431408
3-Bromo-4-chloro-2,7-dihydropyrrolo[2,3-d]pyrimidine
CID 134283142
7-Oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium
CID 140643307
5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
CID 144007412
N-ethyl-3-methylidene-1H-pyrrol-2-imine
CID 144420368
N-methyl-3-methylidene-1H-pyrrol-2-imine
CID 144545721
N'-methyl-N-(3-methylidene-1H-pyrrol-2-ylidene)methanimidamide
CID 145304837
(Z)-N'-(3-methylidenepyrrol-2-yl)ethene-1,2-diamine
CID 147864393
N-ethenyl-3-methylidenepyrrol-2-amine
CID 148367688
4,7-Dihydropyrrolo[2,3-d]pyrimidin-4-ide
CID 150748099
N-[(1Z)-buta-1,3-dienyl]-3-methylidene-1H-pyrrol-2-imine
CID 156576912

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten?
The IUPAC name of 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten (CID 140806118) is 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten.
What is the SMILES notation for 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten?
The canonical SMILES for 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten is [W].[c-]1ncnc2[nH]ccc12.
What is the InChIKey of 4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten?
The InChIKey is GRWWPNSQWOKOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3.W/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;tungsten?
4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten has a molecular weight of 301.96 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;tungsten is sourced from PubChem (CID 140806118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).