7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile

C7H5N4OP — CID 130335747

IUPAC7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
SMILESN#Cc1ncc2c(n1)C(=O)N(P)C2
InChIInChI=1S/C7H5N4OP/c8-1-5-9-2-4-3-11(13)7(12)6(4)10-5/h2H,3,13H2
InChIKeyMNSRQDXVJJMVQE-UHFFFAOYSA-N
MW192.12 g/mol
LogP0.09
Rot. Bonds

About 7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile

7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile (PubChem CID 130335747) has the molecular formula C7H5N4OP and a molecular weight of 192.12 g/mol. Its IUPAC name is 7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
PubChem CID130335747
Molecular FormulaC7H5N4OP
Molecular Weight192.12 g/mol
Exact Mass192.02
IUPAC Name7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
SMILESN#Cc1ncc2c(n1)C(=O)N(P)C2
InChIInChI=1S/C7H5N4OP/c8-1-5-9-2-4-3-11(13)7(12)6(4)10-5/h2H,3,13H2
InChIKeyMNSRQDXVJJMVQE-UHFFFAOYSA-N
XLogP0.09
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6,7,8-tetrahydroquinazoline-2-carbonitrile
CID 89386878
1-(2,2-dimethylpropyl)-2-oxo-3-(2-oxoethyl)-4H-pyrimido[4,5-d]pyrimidine-7-carbonitrile
CID 143100244
7-(2,2-dimethylpropyl)-6-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 59834582
4-chloro-2-cyanopyrimidine-5-carbonyl chloride
CID 86223870
9-(2,2-dimethylpropyl)-6-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-7,8-dihydro-5H-pyrimido[4,5-e][1,4]diazepine-2-carbonitrile
CID 69444545
thiadiazolo[5,4-d]pyrimidine-5-carbonitrile
CID 171378023
[1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile
CID 91066411
imidazo[1,5-a][1,3,5]triazine-2-carbonitrile
CID 89386874
9-prop-2-enylpurine-2-carbonitrile
CID 73442198
2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
CID 66570659
5,6-dioxopyrimido[5,4-h]quinazoline-2,4,7,9-tetracarbonitrile
CID 70451325
7H-purine-2-carbonitrile;hydrochloride
CID 162321507

Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile?
The IUPAC name of 7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile (CID 130335747) is 7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile.
What is the SMILES notation for 7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile?
The canonical SMILES for 7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile is N#Cc1ncc2c(n1)C(=O)N(P)C2.
What is the InChIKey of 7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile?
The InChIKey is MNSRQDXVJJMVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N4OP/c8-1-5-9-2-4-3-11(13)7(12)6(4)10-5/h2H,3,13H2.
What are the key properties of 7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile?
7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile has a molecular weight of 192.12 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-phosphanyl-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile is sourced from PubChem (CID 130335747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).