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85826-37-5 | N-BENZYL-6-CHLORO-2-METHYL-5-PROP-2-ENYL-PYRIMIDIN-4-AMINE
CAS No: 85826-37-5 Catalog No: AG004O8M MDL No:
Product Description
Catalog Number:
AG004O8M
Chemical Name:
N-BENZYL-6-CHLORO-2-METHYL-5-PROP-2-ENYL-PYRIMIDIN-4-AMINE
CAS Number:
85826-37-5
Molecular Formula:
C15H16ClN3
Molecular Weight:
273.7606
IUPAC Name:
N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine
InChI:
InChI=1S/C15H16ClN3/c1-3-7-13-14(16)18-11(2)19-15(13)17-10-12-8-5-4-6-9-12/h3-6,8-9H,1,7,10H2,2H3,(H,17,18,19)
InChI Key:
CJOZWYPAQFUNMT-UHFFFAOYSA-N
SMILES:
C=CCc1c(NCc2ccccc2)nc(nc1Cl)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.764g/mol
Monoisotopic Mass:
273.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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 |
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