2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine

C13H12ClN4OP — CID 170327232

IUPAC2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine
SMILESCP(C)(=O)c1cccc(-n2ccc3cnc(Cl)nc32)n1
InChIInChI=1S/C13H12ClN4OP/c1-20(2,19)11-5-3-4-10(16-11)18-7-6-9-8-15-13(14)17-12(9)18/h3-8H,1-2H3
InChIKeyUAYNDABCENMAIM-UHFFFAOYSA-N
MW306.69 g/mol
LogP2.72
Rot. Bonds2

About 2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine

2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 170327232) has the molecular formula C13H12ClN4OP and a molecular weight of 306.69 g/mol. Its IUPAC name is 2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine
PubChem CID170327232
Molecular FormulaC13H12ClN4OP
Molecular Weight306.69 g/mol
Exact Mass306.04
IUPAC Name2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine
SMILESCP(C)(=O)c1cccc(-n2ccc3cnc(Cl)nc32)n1
InChIInChI=1S/C13H12ClN4OP/c1-20(2,19)11-5-3-4-10(16-11)18-7-6-9-8-15-13(14)17-12(9)18/h3-8H,1-2H3
InChIKeyUAYNDABCENMAIM-UHFFFAOYSA-N
XLogP2.72
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.69
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine (CID 170327232) is 2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine is CP(C)(=O)c1cccc(-n2ccc3cnc(Cl)nc32)n1.
What is the InChIKey of 2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is UAYNDABCENMAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN4OP/c1-20(2,19)11-5-3-4-10(16-11)18-7-6-9-8-15-13(14)17-12(9)18/h3-8H,1-2H3.
What are the key properties of 2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine?
2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 306.69 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 170327232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).