Name: Name:7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
Brand: Angene
SKU: AG019Z5W
Rating: 90 (10 reviews)

7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

CAS No.:

173458-80-5

Catalog Number:

AG019Z5W

Molecular Formula:

C15H14ClN3

Molecular Weight:

271.7448

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Product Description

Catalog Number:

AG019Z5W

Chemical Name:

7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

CAS Number:

173458-80-5

Molecular Formula:

C15H14ClN3

Molecular Weight:

271.7448

MDL Number:

MFCD04124070

IUPAC Name:

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

InChI:

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

InChI Key:

OWTBZRBZLBQVFN-UHFFFAOYSA-N

SMILES:

Clc1ncnc2c1c(C)c(n2Cc1ccccc1)C

Properties

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

271.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

271.748g/mol

Monoisotopic Mass:

271.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501