7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine

C15H14ClN3 — CID 1475476

IUPAC7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1c(C)n(Cc2ccccc2)c2ncnc(Cl)c12
InChIInChI=1S/C15H14ClN3/c1-10-11(2)19(8-12-6-4-3-5-7-12)15-13(10)14(16)17-9-18-15/h3-7,9H,8H2,1-2H3
InChIKeyOWTBZRBZLBQVFN-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.75
Rot. Bonds2

About 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine

7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine (PubChem CID 1475476) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine
PubChem CID1475476
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1c(C)n(Cc2ccccc2)c2ncnc(Cl)c12
InChIInChI=1S/C15H14ClN3/c1-10-11(2)19(8-12-6-4-3-5-7-12)15-13(10)14(16)17-9-18-15/h3-7,9H,8H2,1-2H3
InChIKeyOWTBZRBZLBQVFN-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine (CID 1475476) is 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine is Cc1c(C)n(Cc2ccccc2)c2ncnc(Cl)c12.
What is the InChIKey of 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine?
The InChIKey is OWTBZRBZLBQVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10-11(2)19(8-12-6-4-3-5-7-12)15-13(10)14(16)17-9-18-15/h3-7,9H,8H2,1-2H3.
What are the key properties of 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine?
7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine has a molecular weight of 271.75 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 1475476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).