2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine

C9H9N3 — CID 138608442

IUPAC2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESC=CCc1ncc2cc[nH]c2n1
InChIInChI=1S/C9H9N3/c1-2-3-8-11-6-7-4-5-10-9(7)12-8/h2,4-6H,1,3H2,(H,10,11,12)
InChIKeyTWTOGXDKVRAZIR-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.69
Rot. Bonds2

About 2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine

2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 138608442) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID138608442
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESC=CCc1ncc2cc[nH]c2n1
InChIInChI=1S/C9H9N3/c1-2-3-8-11-6-7-4-5-10-9(7)12-8/h2,4-6H,1,3H2,(H,10,11,12)
InChIKeyTWTOGXDKVRAZIR-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-
CID 5356682
N-(cis-3-(Methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)cyclobutyl)-1-propanesulfonamide
CID 78323835
7-Deazaadenine
CID 5359620
2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine
CID 14116871
7H-Pyrrolo(2,3-d)pyrimidine
CID 261591
5H-Pyrrolo[2,3-b]pyrazine
CID 5370803
7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 265827
6-Pyrrolidino-7-deazapurine
CID 4428602
4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 18008465
N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 122199230
4-chloro-7H-pyrrolo(2,3-d)pyrimidin-2-amine
CID 5324413
4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
CID 5324414

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine (CID 138608442) is 2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine is C=CCc1ncc2cc[nH]c2n1.
What is the InChIKey of 2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is TWTOGXDKVRAZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-3-8-11-6-7-4-5-10-9(7)12-8/h2,4-6H,1,3H2,(H,10,11,12).
What are the key properties of 2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine?
2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 159.19 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 138608442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).