2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine

C11H14N6 — CID 163765987

IUPAC2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine
SMILES[H]/N=C/C(=NN)C(CC)n1ccc2cncnc21
InChIInChI=1S/C11H14N6/c1-2-10(9(5-12)16-13)17-4-3-8-6-14-7-15-11(8)17/h3-7,10,12H,2,13H2,1H3/b12-5+,16-9?
InChIKeyREJKXUMPMXTGBT-OKJBZKCTSA-N
MW230.28 g/mol
LogP1.35
Rot. Bonds4

About 2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine

2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine (PubChem CID 163765987) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine.

Molecular Properties

Compound Name2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine
PubChem CID163765987
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine
SMILES[H]/N=C/C(=NN)C(CC)n1ccc2cncnc21
InChIInChI=1S/C11H14N6/c1-2-10(9(5-12)16-13)17-4-3-8-6-14-7-15-11(8)17/h3-7,10,12H,2,13H2,1H3/b12-5+,16-9?
InChIKeyREJKXUMPMXTGBT-OKJBZKCTSA-N
XLogP1.35
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol
CID 131524978
7-ethylpyrrolo[2,3-d]pyrimidine
CID 69299985
ethane;7-methylpyrrolo[2,3-d]pyrimidine
CID 155705341
pyrrolo[2,3-d]pyrimidine-7-sulfonamide
CID 122648312
7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine
CID 174558301
2-[4-[4-(propan-2-ylamino)-6-pyrrolo[2,3-d]pyrimidin-7-yl-3-pyridinyl]triazol-1-yl]butanoic acid
CID 139327084
methyl pyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 175841453
2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol
CID 155548704
7-[1-(2-fluorophenyl)imino-2-hydrazinylidenepentan-3-yl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 148565372
2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine
CID 58015932
7-[(R)-1-[[(Z)-pent-3-en-2-yl]oxymethoxy]ethoxy-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]pyrrolo[2,3-d]pyrimidine
CID 142528226
ethane;7-(5-ethylcyclooctyl)pyrrolo[2,3-d]pyrimidine
CID 143744456

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine?
The IUPAC name of 2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine (CID 163765987) is 2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine.
What is the SMILES notation for 2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine?
The canonical SMILES for 2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine is [H]/N=C/C(=NN)C(CC)n1ccc2cncnc21.
What is the InChIKey of 2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine?
The InChIKey is REJKXUMPMXTGBT-OKJBZKCTSA-N. The full InChI is InChI=1S/C11H14N6/c1-2-10(9(5-12)16-13)17-4-3-8-6-14-7-15-11(8)17/h3-7,10,12H,2,13H2,1H3/b12-5+,16-9?.
What are the key properties of 2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine?
2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine has a molecular weight of 230.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine is sourced from PubChem (CID 163765987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).